Chemoinformaics analysis of SATIVANONE
Molecular Weight | 300.31 | nRot | 3 |
Heavy Atom Molecular Weight | 284.182 | nRig | 18 |
Exact Molecular Weight | 300.1 | nRing | 3 |
Solubility: LogS | -4.13 | nHRing | 1 |
Solubility: LogP | 2.905 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 38 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 22 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 17 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 5 | No. of Arom Bond | 12 |
nHA | 5 | APOL | 43.0687 |
nHD | 1 | BPOL | 22.1273 |
QED | 0.944 |
Synth | 2.713 |
Natural Product Likeliness | 1.18 |
NR-PPAR-gamma | 0.011 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.006 |
Pgp-sub | 0.004 |
HIA | 0.004 |
CACO-2 | -4.796 |
MDCK | 0.0000341 |
BBB | 0.095 |
PPB | 0.981267 |
VDSS | 0.55 |
FU | 0.0199347 |
CYP1A2-inh | 0.931 |
CYP1A2-sub | 0.951 |
CYP2c19-inh | 0.934 |
CYP2c19-sub | 0.819 |
CYP2c9-inh | 0.83 |
CYP2c9-sub | 0.942 |
CYP2d6-inh | 0.792 |
CYP2d6-sub | 0.934 |
CYP3a4-inh | 0.889 |
CYP3a4-sub | 0.672 |
CL | 9.771 |
T12 | 0.384 |
hERG | 0.076 |
Ames | 0.597 |
ROA | 0.284 |
SkinSen | 0.274 |
Carcinogencity | 0.363 |
EI | 0.074 |
Respiratory | 0.201 |
NR-Aromatase | 0.161 |
Antiviral | Yes |
Prediction | 0.844002 |