Chemoinformaics analysis of Colchiceinamid
Molecular Weight | 384.432 | nRot | 4 |
Heavy Atom Molecular Weight | 360.24 | nRig | 21 |
Exact Molecular Weight | 384.169 | nRing | 3 |
Solubility: LogS | -2.22 | nHRing | 0 |
Solubility: LogP | 1.862 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 52 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 28 | No. of Aromatic Carbocycles | 2 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 24 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 21 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 13 |
No. of Oxygen atom | 5 | No. of Arom Bond | 13 |
nHA | 6 | APOL | 57.283 |
nHD | 2 | BPOL | 31.021 |
QED | 0.809 |
Synth | 3.536 |
Natural Product Likeliness | 0.444 |
NR-PPAR-gamma | 0.619 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.004 |
Pgp-sub | 0.481 |
HIA | 0.017 |
CACO-2 | -4.869 |
MDCK | 0.00000765 |
BBB | 0.93 |
PPB | 0.824324 |
VDSS | 0.866 |
FU | 0.128826 |
CYP1A2-inh | 0.415 |
CYP1A2-sub | 0.897 |
CYP2c19-inh | 0.032 |
CYP2c19-sub | 0.823 |
CYP2c9-inh | 0.018 |
CYP2c9-sub | 0.6 |
CYP2d6-inh | 0.163 |
CYP2d6-sub | 0.641 |
CYP3a4-inh | 0.238 |
CYP3a4-sub | 0.88 |
CL | 4.071 |
T12 | 0.879 |
hERG | 0.091 |
Ames | 0.132 |
ROA | 0.617 |
SkinSen | 0.075 |
Carcinogencity | 0.066 |
EI | 0.008 |
Respiratory | 0.212 |
NR-Aromatase | 0.585 |
Antiviral | Yes |
Prediction | 0.681368 |