Chemoinformaics analysis of 24-methyl-lanost-9(11)-en-3-beta-ol
Molecular Weight | 264.372 | nRot | 0 |
Heavy Atom Molecular Weight | 244.212 | nRig | 28 |
Exact Molecular Weight | 264.163 | nRing | 5 |
Solubility: LogS | -3.706 | nHRing | 4 |
Solubility: LogP | 3.08 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 40 | No. of Aliphatic Hetero Cycles | 3 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 1 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 2 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 20 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 18 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 9 |
No. of Oxygen atom | 0 | No. of Arom Bond | 10 |
nHA | 1 | APOL | 45.5959 |
nHD | 1 | BPOL | 22.3441 |
QED | 0.315 |
Synth | 5.072 |
Natural Product Likeliness | 3.149 |
NR-PPAR-gamma | 0.88 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.015 |
Pgp-sub | 0.002 |
HIA | 0.217 |
CACO-2 | -5.51 |
MDCK | 0.00002 |
BBB | 0.739 |
PPB | 0.929512 |
VDSS | 0.489 |
FU | 0.0905277 |
CYP1A2-inh | 0.002 |
CYP1A2-sub | 0.704 |
CYP2c19-inh | 0.004 |
CYP2c19-sub | 0.896 |
CYP2c9-inh | 0.031 |
CYP2c9-sub | 0.141 |
CYP2d6-inh | 0.002 |
CYP2d6-sub | 0.127 |
CYP3a4-inh | 0.207 |
CYP3a4-sub | 0.218 |
CL | 2.314 |
T12 | 0.103 |
hERG | 0.002 |
Ames | 0.043 |
ROA | 0.071 |
SkinSen | 0.003 |
Carcinogencity | 0.106 |
EI | 0.016 |
Respiratory | 0.589 |
NR-Aromatase | 0.829 |
Antiviral | Yes |
Prediction | 0.635884 |