Chemoinformaics analysis of Intricatinol
Molecular Weight | 298.294 | nRot | 2 |
Heavy Atom Molecular Weight | 284.182 | nRig | 18 |
Exact Molecular Weight | 298.084 | nRing | 3 |
Solubility: LogS | -3.534 | nHRing | 1 |
Solubility: LogP | 2.968 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 36 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 22 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 17 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 5 | No. of Arom Bond | 12 |
nHA | 5 | APOL | 41.7351 |
nHD | 2 | BPOL | 18.3849 |
QED | 0.727 |
Synth | 2.271 |
Natural Product Likeliness | 0.741 |
NR-PPAR-gamma | 0.955 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.003 |
Pgp-sub | 0.372 |
HIA | 0.006 |
CACO-2 | -4.743 |
MDCK | 0.0000135 |
BBB | 0.026 |
PPB | 0.990491 |
VDSS | 0.388 |
FU | 0.0235307 |
CYP1A2-inh | 0.923 |
CYP1A2-sub | 0.774 |
CYP2c19-inh | 0.807 |
CYP2c19-sub | 0.073 |
CYP2c9-inh | 0.806 |
CYP2c9-sub | 0.854 |
CYP2d6-inh | 0.7 |
CYP2d6-sub | 0.86 |
CYP3a4-inh | 0.401 |
CYP3a4-sub | 0.421 |
CL | 8.602 |
T12 | 0.885 |
hERG | 0.015 |
Ames | 0.182 |
ROA | 0.525 |
SkinSen | 0.745 |
Carcinogencity | 0.792 |
EI | 0.814 |
Respiratory | 0.204 |
NR-Aromatase | 0.772 |
Antiviral | Yes |
Prediction | 0.799077 |