Chemoinformaics analysis of DOLICHOSTERONE
Molecular Weight | 462.671 | nRot | 5 |
Heavy Atom Molecular Weight | 416.303 | nRig | 22 |
Exact Molecular Weight | 462.335 | nRing | 4 |
Solubility: LogS | -4.192 | nHRing | 0 |
Solubility: LogP | 3.057 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 79 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 33 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 4 |
No. of Hydrogen atom | 46 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 28 | No. of Saturated Rings | 4 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 5 | No. of Arom Bond | 0 |
nHA | 5 | APOL | 81.4425 |
nHD | 4 | BPOL | 47.0155 |
QED | 0.467 |
Synth | 5.107 |
Natural Product Likeliness | 2.555 |
NR-PPAR-gamma | 0.007 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.033 |
HIA | 0.186 |
CACO-2 | -4.847 |
MDCK | 0.0000386 |
BBB | 0.72 |
PPB | 0.868427 |
VDSS | 1.654 |
FU | 0.0539721 |
CYP1A2-inh | 0.009 |
CYP1A2-sub | 0.459 |
CYP2c19-inh | 0.005 |
CYP2c19-sub | 0.7 |
CYP2c9-inh | 0.04 |
CYP2c9-sub | 0.421 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.482 |
CYP3a4-inh | 0.025 |
CYP3a4-sub | 0.245 |
CL | 13.523 |
T12 | 0.075 |
hERG | 0.023 |
Ames | 0.033 |
ROA | 0.688 |
SkinSen | 0.02 |
Carcinogencity | 0.022 |
EI | 0.007 |
Respiratory | 0.75 |
NR-Aromatase | 0.003 |
Antiviral | Yes |
Prediction | 0.76679 |