Chemoinformaics analysis of SATIVANINE F
Molecular Weight | 633.746 | nRot | 10 |
Heavy Atom Molecular Weight | 590.402 | nRig | 32 |
Exact Molecular Weight | 633.316 | nRing | 4 |
Solubility: LogS | -4.08 | nHRing | 2 |
Solubility: LogP | 2.978 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 89 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 46 | No. of Aromatic Carbocycles | 2 |
nHetero | 12 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 43 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 34 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 5 | No. of Arom Atom | 12 |
No. of Oxygen atom | 7 | No. of Arom Bond | 12 |
nHA | 7 | APOL | 96.5661 |
nHD | 4 | BPOL | 54.9399 |
QED | 0.337 |
Synth | 5.747 |
Natural Product Likeliness | 0.91 |
NR-PPAR-gamma | 0.809 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.966 |
Pgp-sub | 0.893 |
HIA | 0.865 |
CACO-2 | -5.353 |
MDCK | 0.000004 |
BBB | 0.083 |
PPB | 0.921368 |
VDSS | 0.504 |
FU | 0.0232469 |
CYP1A2-inh | 0.003 |
CYP1A2-sub | 0.057 |
CYP2c19-inh | 0.236 |
CYP2c19-sub | 0.669 |
CYP2c9-inh | 0.452 |
CYP2c9-sub | 0.284 |
CYP2d6-inh | 0.024 |
CYP2d6-sub | 0.209 |
CYP3a4-inh | 0.94 |
CYP3a4-sub | 0.758 |
CL | 3.625 |
T12 | 0.481 |
hERG | 0.015 |
Ames | 0.096 |
ROA | 0.884 |
SkinSen | 0.017 |
Carcinogencity | 0.084 |
EI | 0.003 |
Respiratory | 0.016 |
NR-Aromatase | 0.728 |
Antiviral | Yes |
Prediction | 0.974313 |