Chemoinformaics analysis of SATIVIC-ACID
Molecular Weight | 348.48 | nRot | 16 |
Heavy Atom Molecular Weight | 312.192 | nRig | 1 |
Exact Molecular Weight | 348.251 | nRing | 0 |
Solubility: LogS | -2.893 | nHRing | 0 |
Solubility: LogP | 2.261 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 60 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 24 | No. of Aromatic Carbocycles | 0 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 36 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 18 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 6 | No. of Arom Bond | 0 |
nHA | 5 | APOL | 58.8765 |
nHD | 5 | BPOL | 36.9835 |
QED | 0.273 |
Synth | 3.524 |
Natural Product Likeliness | 0.969 |
NR-PPAR-gamma | 0.871 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.084 |
Pgp-sub | 0.021 |
HIA | 0.924 |
CACO-2 | -5.425 |
MDCK | 0.000085 |
BBB | 0.27 |
PPB | 0.908627 |
VDSS | 0.468 |
FU | 0.0577947 |
CYP1A2-inh | 0.071 |
CYP1A2-sub | 0.095 |
CYP2c19-inh | 0.008 |
CYP2c19-sub | 0.061 |
CYP2c9-inh | 0.002 |
CYP2c9-sub | 0.983 |
CYP2d6-inh | 0.002 |
CYP2d6-sub | 0.078 |
CYP3a4-inh | 0.003 |
CYP3a4-sub | 0.007 |
CL | 6.836 |
T12 | 0.856 |
hERG | 0.071 |
Ames | 0.028 |
ROA | 0.008 |
SkinSen | 0.276 |
Carcinogencity | 0.025 |
EI | 0.043 |
Respiratory | 0.05 |
NR-Aromatase | 0.044 |
Antiviral | Yes |
Prediction | 0.810212 |