Chemoinformaics analysis of GOSSYPETIN
Molecular Weight | 318.237 | nRot | 1 |
Heavy Atom Molecular Weight | 308.157 | nRig | 18 |
Exact Molecular Weight | 318.038 | nRing | 3 |
Solubility: LogS | -3.661 | nHRing | 1 |
Solubility: LogP | 1.654 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 33 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 2 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 10 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 15 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 8 | No. of Arom Bond | 17 |
nHA | 8 | APOL | 38.1339 |
nHD | 6 | BPOL | 12.6361 |
QED | 0.293 |
Synth | 2.726 |
Natural Product Likeliness | 1.773 |
NR-PPAR-gamma | 0.94 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.006 |
Pgp-sub | 0.001 |
HIA | 0.029 |
CACO-2 | -5.571 |
MDCK | 0.00000684 |
BBB | 0.004 |
PPB | 0.9501 |
VDSS | 0.625 |
FU | 0.106635 |
CYP1A2-inh | 0.837 |
CYP1A2-sub | 0.102 |
CYP2c19-inh | 0.022 |
CYP2c19-sub | 0.039 |
CYP2c9-inh | 0.57 |
CYP2c9-sub | 0.239 |
CYP2d6-inh | 0.034 |
CYP2d6-sub | 0.16 |
CYP3a4-inh | 0.097 |
CYP3a4-sub | 0.026 |
CL | 8.821 |
T12 | 0.939 |
hERG | 0.095 |
Ames | 0.774 |
ROA | 0.032 |
SkinSen | 0.934 |
Carcinogencity | 0.057 |
EI | 0.929 |
Respiratory | 0.042 |
NR-Aromatase | 0.9 |
Antiviral | Yes |
Prediction | 0.721381 |