Chemoinformaics analysis of Osthenone
Molecular Weight | 244.246 | nRot | 3 |
Heavy Atom Molecular Weight | 232.15 | nRig | 14 |
Exact Molecular Weight | 244.074 | nRing | 2 |
Solubility: LogS | -3.9 | nHRing | 1 |
Solubility: LogP | 1.694 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 30 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 18 | No. of Aromatic Carbocycles | 1 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 14 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 10 |
No. of Oxygen atom | 4 | No. of Arom Bond | 11 |
nHA | 4 | APOL | 34.5895 |
nHD | 0 | BPOL | 17.2465 |
QED | 0.614 |
Synth | 2.49 |
Natural Product Likeliness | 1.172 |
NR-PPAR-gamma | 0.915 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.104 |
Pgp-sub | 0.529 |
HIA | 0.006 |
CACO-2 | -4.63 |
MDCK | 0.0000167 |
BBB | 0.036 |
PPB | 0.873096 |
VDSS | 0.63 |
FU | 0.133443 |
CYP1A2-inh | 0.98 |
CYP1A2-sub | 0.932 |
CYP2c19-inh | 0.372 |
CYP2c19-sub | 0.073 |
CYP2c9-inh | 0.105 |
CYP2c9-sub | 0.852 |
CYP2d6-inh | 0.728 |
CYP2d6-sub | 0.832 |
CYP3a4-inh | 0.468 |
CYP3a4-sub | 0.368 |
CL | 10.165 |
T12 | 0.779 |
hERG | 0.004 |
Ames | 0.815 |
ROA | 0.049 |
SkinSen | 0.664 |
Carcinogencity | 0.934 |
EI | 0.928 |
Respiratory | 0.44 |
NR-Aromatase | 0.732 |
Antiviral | Yes |
Prediction | 0.64245 |