Chemoinformaics analysis of Colchiceine
Molecular Weight | 385.416 | nRot | 4 |
Heavy Atom Molecular Weight | 362.232 | nRig | 21 |
Exact Molecular Weight | 385.153 | nRing | 3 |
Solubility: LogS | -3.237 | nHRing | 0 |
Solubility: LogP | 1.894 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 51 | 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 | 23 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 21 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 13 |
No. of Oxygen atom | 6 | No. of Arom Bond | 13 |
nHA | 6 | APOL | 56.3182 |
nHD | 2 | BPOL | 30.5878 |
QED | 0.809 |
Synth | 3.52 |
Natural Product Likeliness | 0.697 |
NR-PPAR-gamma | 0.759 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.028 |
Pgp-sub | 0.051 |
HIA | 0.029 |
CACO-2 | -4.731 |
MDCK | 0.0000164 |
BBB | 0.753 |
PPB | 0.897722 |
VDSS | 0.702 |
FU | 0.117146 |
CYP1A2-inh | 0.495 |
CYP1A2-sub | 0.971 |
CYP2c19-inh | 0.051 |
CYP2c19-sub | 0.887 |
CYP2c9-inh | 0.021 |
CYP2c9-sub | 0.864 |
CYP2d6-inh | 0.023 |
CYP2d6-sub | 0.735 |
CYP3a4-inh | 0.048 |
CYP3a4-sub | 0.743 |
CL | 3.661 |
T12 | 0.882 |
hERG | 0.022 |
Ames | 0.068 |
ROA | 0.492 |
SkinSen | 0.037 |
Carcinogencity | 0.035 |
EI | 0.016 |
Respiratory | 0.021 |
NR-Aromatase | 0.661 |
Antiviral | Yes |
Prediction | 0.691712 |