Chemoinformaics analysis of Vicianose
Molecular Weight | 312.271 | nRot | 3 |
Heavy Atom Molecular Weight | 292.111 | nRig | 12 |
Exact Molecular Weight | 312.106 | nRing | 2 |
Solubility: LogS | -0.142 | nHRing | 2 |
Solubility: LogP | -2.597 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 41 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 0 |
nHetero | 10 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 20 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 11 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 10 | No. of Arom Bond | 0 |
nHA | 10 | APOL | 39.7259 |
nHD | 7 | BPOL | 25.2721 |
QED | 0.268 |
Synth | 4.335 |
Natural Product Likeliness | 2.453 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.014 |
Pgp-sub | 0.921 |
HIA | 0.954 |
CACO-2 | -5.696 |
MDCK | 0.000107302 |
BBB | 0.262 |
PPB | 0.156938 |
VDSS | 0.356 |
FU | 0.683869 |
CYP1A2-inh | 0.006 |
CYP1A2-sub | 0.048 |
CYP2c19-inh | 0.017 |
CYP2c19-sub | 0.063 |
CYP2c9-inh | 0 |
CYP2c9-sub | 0.043 |
CYP2d6-inh | 0.018 |
CYP2d6-sub | 0.098 |
CYP3a4-inh | 0.004 |
CYP3a4-sub | 0.003 |
CL | 0.959 |
T12 | 0.849 |
hERG | 0.284 |
Ames | 0.143 |
ROA | 0.036 |
SkinSen | 0.439 |
Carcinogencity | 0.026 |
EI | 0.154 |
Respiratory | 0.029 |
NR-Aromatase | 0.007 |
Antiviral | Yes |
Prediction | 0.761406 |