Compound Name and PubChem ID  SMW  D  QPlogP  LogKhsa  Log BB  PM  Caco  Rule of 5  OA  Similar compounds and similarity index (%)
Alpha-Pinene(6654)  136.236  0.048  3.618  0.343  0.865  3  9906  0  100  Pempidine 78.80Clomethiazole 76.61Tranylcypromine 74.79Levamisole 72.26Mecamylamine 70.18
P-CYMENE (7463)  134.221  0.063  3.657  0.344  0.699  2  9906  0  100  Clomethiazole 89.85Phenylpropanol 84.91Isaxonine 84.31Mephentermine 82.16Pempidine 81.71
Thymoquinone (10281)  164.204  0.146  0.754  −0.635  −0.322  2  1091  0  86  Ethadione 91.24Paramethadione 91.07Acipimox 90.18Metacetamol 90.04Menadione 88.99
CARVACROL(10364)  150.220  1.514  3.298  0.056  0.073  3  3697  0  100  Mephentermine 91.54Phenylpropanol 91.35Isaxonine 90.81Paroxypropione 88.74Etilamfetamine 88.69
Terpinen-4-ol (11230)  154.252  1.902  2.950  0.101  0.224  4  5373  0  100  Sobrerol 88.09Aptrol 85.79Mephentermine 85.24Pempidine 84.79Phenylpropanol 84.79
alpha-Hederin (73296)  750.965  13.055  2.210  −0.287  −3.032  8  7M  3  16M  Azithromycin 68.93Flurithromycin 67.56Metildigoxin 66.53Clarithromycin 64.48beta 61.13
Thymohydroquinone (95779)  166.219  2.985  1.919  −0.171  −0.357  4  1396  0  94  Aptrol 95.09Sobrerol 93.88Prothionamide 93.02Bethanidine 91.64Mexiletine 91.28
Dithymoquinone (398941)  328.407  0.713  1.531  −0.527  −0.598  4  714  0  87  Nitisinone 81.63Trimetozine 80.19Fropenem 78.15Carboquone 78.13Emorfazone 77.37
trans-Anethole (637563)  148.204  1.354  3.167  0.120  0.284  2  9906  0  100  Clomethiazole 91.29Mephentermine 89.60Phenylpropanol 89.55Isaxonine 89.01Fenipentol 87.70
LONGIFOLENE (1796220)  204.355  0.434  4.846  0.857  1.028  1  9906  0  100  Chlornaphazine 79.84Levamisole 78.13Medazepam 78.10Pyrantel 77.74Methsuximide 77.61
Nigellidine (136828302)  294.352  7.916  3.728  0.666  −0.379  3  1219  0  100  Mesterolone 90.40Ondansetron 89.21Mazindol 88.92Metandienone 88.84Methandrostenolone 88.77
Nigellicine (11402337)  246.265  0.873  2.748  −0.597  −0.053  2  1794  0  88  Flumequine 91.32Ketorolac 88.64Oxolinic 86.54Anagrelide 85.98Glutethimide 85.82