Chemoinformaics analysis of Horminone
Molecular Weight | 332.44 | nRot | 1 |
Heavy Atom Molecular Weight | 304.216 | nRig | 17 |
Exact Molecular Weight | 332.199 | nRing | 3 |
Solubility: LogS | -4.18 | nHRing | 0 |
Solubility: LogP | 4.695 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 3 |
Atoms Count | 52 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 24 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | 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 | 0 |
No. of Oxygen atom | 4 | No. of Arom Bond | 0 |
nHA | 4 | APOL | 55.2782 |
nHD | 2 | BPOL | 29.8258 |
QED | 0.519 |
Synth | 3.928 |
Natural Product Likeliness | 2.351 |
NR-PPAR-gamma | 0.97 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.068 |
Pgp-sub | 0.001 |
HIA | 0.023 |
CACO-2 | -4.823 |
MDCK | 0.0000178 |
BBB | 0.089 |
PPB | 0.994846 |
VDSS | 2.579 |
FU | 0.0225604 |
CYP1A2-inh | 0.256 |
CYP1A2-sub | 0.878 |
CYP2c19-inh | 0.178 |
CYP2c19-sub | 0.661 |
CYP2c9-inh | 0.462 |
CYP2c9-sub | 0.832 |
CYP2d6-inh | 0.432 |
CYP2d6-sub | 0.29 |
CYP3a4-inh | 0.211 |
CYP3a4-sub | 0.274 |
CL | 5.449 |
T12 | 0.187 |
hERG | 0.005 |
Ames | 0.054 |
ROA | 0.092 |
SkinSen | 0.915 |
Carcinogencity | 0.118 |
EI | 0.864 |
Respiratory | 0.957 |
NR-Aromatase | 0.92 |
Antiviral | No |
Prediction | 0.638693 |