Chemoinformaics analysis of Onychine
Molecular Weight | 195.221 | nRot | 0 |
Heavy Atom Molecular Weight | 186.149 | nRig | 16 |
Exact Molecular Weight | 195.068 | nRing | 3 |
Solubility: LogS | -3.845 | nHRing | 1 |
Solubility: LogP | 2.325 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 24 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 15 | No. of Aromatic Carbocycles | 1 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 9 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 13 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 12 |
No. of Oxygen atom | 1 | No. of Arom Bond | 12 |
nHA | 2 | APOL | 29.6131 |
nHD | 0 | BPOL | 11.0369 |
QED | 0.552 |
Synth | 2.053 |
Natural Product Likeliness | 0.491 |
NR-PPAR-gamma | 0.288 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.015 |
Pgp-sub | 0.001 |
HIA | 0.004 |
CACO-2 | -4.643 |
MDCK | 0.000023 |
BBB | 0.634 |
PPB | 0.939571 |
VDSS | 1.095 |
FU | 0.0405806 |
CYP1A2-inh | 0.955 |
CYP1A2-sub | 0.629 |
CYP2c19-inh | 0.614 |
CYP2c19-sub | 0.178 |
CYP2c9-inh | 0.401 |
CYP2c9-sub | 0.783 |
CYP2d6-inh | 0.052 |
CYP2d6-sub | 0.811 |
CYP3a4-inh | 0.592 |
CYP3a4-sub | 0.186 |
CL | 3.826 |
T12 | 0.12 |
hERG | 0.039 |
Ames | 0.939 |
ROA | 0.335 |
SkinSen | 0.197 |
Carcinogencity | 0.83 |
EI | 0.989 |
Respiratory | 0.935 |
NR-Aromatase | 0.734 |
Antiviral | No |
Prediction | 0.653298 |