Chemoinformaics analysis of Sansevierin A
Molecular Weight | 738.912 | nRot | 5 |
Heavy Atom Molecular Weight | 676.416 | nRig | 42 |
Exact Molecular Weight | 738.419 | nRing | 8 |
Solubility: LogS | -3.22 | nHRing | 4 |
Solubility: LogP | 1.62 | No. of Aliphatic Rings | 8 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 114 | No. of Aliphatic Hetero Cycles | 4 |
No. of Heavy Atom | 52 | No. of Aromatic Carbocycles | 0 |
nHetero | 13 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 3 |
No. of Hydrogen atom | 62 | No. of Saturated Hetero Cycles | 4 |
No. of Carbon atom | 39 | No. of Saturated Rings | 7 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 13 | No. of Arom Bond | 0 |
nHA | 13 | APOL | 116.897 |
nHD | 7 | BPOL | 72.6148 |
QED | 0.2 |
Synth | 6.341 |
Natural Product Likeliness | 3.07 |
NR-PPAR-gamma | 0.018 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.005 |
Pgp-sub | 0.028 |
HIA | 0.899 |
CACO-2 | -5.374 |
MDCK | 0.000105061 |
BBB | 0.057 |
PPB | 0.777274 |
VDSS | 0.398 |
FU | 0.0801146 |
CYP1A2-inh | 0 |
CYP1A2-sub | 0.181 |
CYP2c19-inh | 0.001 |
CYP2c19-sub | 0.597 |
CYP2c9-inh | 0 |
CYP2c9-sub | 0.065 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.188 |
CYP3a4-inh | 0.005 |
CYP3a4-sub | 0.068 |
CL | 0.884 |
T12 | 0.034 |
hERG | 0.016 |
Ames | 0.131 |
ROA | 0.926 |
SkinSen | 0.005 |
Carcinogencity | 0.084 |
EI | 0.002 |
Respiratory | 0.416 |
NR-Aromatase | 0.625 |
Antiviral | Yes |
Prediction | 0.872775 |