Chemoinformaics analysis of Phorbol
Molecular Weight | 364.438 | nRot | 1 |
Heavy Atom Molecular Weight | 336.214 | nRig | 19 |
Exact Molecular Weight | 364.189 | nRing | 4 |
Solubility: LogS | -3.172 | nHRing | 0 |
Solubility: LogP | 1.238 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 54 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 26 | No. of Aromatic Carbocycles | 0 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 2 |
No. of Hydrogen atom | 28 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 20 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 6 | No. of Arom Bond | 0 |
nHA | 6 | APOL | 56.8822 |
nHD | 5 | BPOL | 28.9578 |
QED | 0.416 |
Synth | 5.18 |
Natural Product Likeliness | 3.255 |
NR-PPAR-gamma | 0.008 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.269 |
HIA | 0.078 |
CACO-2 | -5.207 |
MDCK | 0.0000985 |
BBB | 0.294 |
PPB | 0.334475 |
VDSS | 0.598 |
FU | 0.51052 |
CYP1A2-inh | 0.026 |
CYP1A2-sub | 0.252 |
CYP2c19-inh | 0.016 |
CYP2c19-sub | 0.606 |
CYP2c9-inh | 0.004 |
CYP2c9-sub | 0.085 |
CYP2d6-inh | 0.002 |
CYP2d6-sub | 0.11 |
CYP3a4-inh | 0.021 |
CYP3a4-sub | 0.17 |
CL | 1.54 |
T12 | 0.539 |
hERG | 0.086 |
Ames | 0.075 |
ROA | 0.885 |
SkinSen | 0.342 |
Carcinogencity | 0.082 |
EI | 0.013 |
Respiratory | 0.976 |
NR-Aromatase | 0.896 |
Antiviral | Yes |
Prediction | 0.574575 |