Chemoinformaics analysis of 6-Hydroxysugiol
Molecular Weight | 316.441 | nRot | 1 |
Heavy Atom Molecular Weight | 288.217 | nRig | 17 |
Exact Molecular Weight | 316.204 | nRing | 3 |
Solubility: LogS | -3.479 | nHRing | 0 |
Solubility: LogP | 3.988 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 51 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 1 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 28 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 20 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
No. of Oxygen atom | 3 | No. of Arom Bond | 6 |
nHA | 3 | APOL | 54.4762 |
nHD | 2 | BPOL | 28.9578 |
QED | 0.815 |
Synth | 4.102 |
Natural Product Likeliness | 2.07 |
NR-PPAR-gamma | 0.674 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.362 |
Pgp-sub | 0.153 |
HIA | 0.018 |
CACO-2 | -4.669 |
MDCK | 0.0000196 |
BBB | 0.537 |
PPB | 0.912644 |
VDSS | 2.788 |
FU | 0.156922 |
CYP1A2-inh | 0.075 |
CYP1A2-sub | 0.822 |
CYP2c19-inh | 0.188 |
CYP2c19-sub | 0.894 |
CYP2c9-inh | 0.385 |
CYP2c9-sub | 0.933 |
CYP2d6-inh | 0.208 |
CYP2d6-sub | 0.489 |
CYP3a4-inh | 0.217 |
CYP3a4-sub | 0.587 |
CL | 4.572 |
T12 | 0.142 |
hERG | 0.021 |
Ames | 0.026 |
ROA | 0.538 |
SkinSen | 0.702 |
Carcinogencity | 0.017 |
EI | 0.834 |
Respiratory | 0.951 |
NR-Aromatase | 0.93 |
Antiviral | No |
Prediction | 0.759919 |