Chemoinformaics analysis of Virosine A
Molecular Weight | 364.353 | nRot | 2 |
Heavy Atom Molecular Weight | 348.225 | nRig | 14 |
Exact Molecular Weight | 364.095 | nRing | 4 |
Solubility: LogS | -4.033 | nHRing | 2 |
Solubility: LogP | 3.928 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 4 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 43 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 27 | No. of Aromatic Carbocycles | 2 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 21 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 20 |
No. of Oxygen atom | 6 | No. of Arom Bond | 22 |
nHA | 6 | APOL | 50.5507 |
nHD | 2 | BPOL | 21.2593 |
QED | 0.668 |
Synth | 2.335 |
Natural Product Likeliness | 1.092 |
NR-PPAR-gamma | 0.933 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.003 |
Pgp-sub | 0.003 |
HIA | 0.005 |
CACO-2 | -4.927 |
MDCK | 0.000021 |
BBB | 0.083 |
PPB | 1.00497 |
VDSS | 0.291 |
FU | 0.00757833 |
CYP1A2-inh | 0.93 |
CYP1A2-sub | 0.883 |
CYP2c19-inh | 0.682 |
CYP2c19-sub | 0.623 |
CYP2c9-inh | 0.797 |
CYP2c9-sub | 0.763 |
CYP2d6-inh | 0.572 |
CYP2d6-sub | 0.605 |
CYP3a4-inh | 0.501 |
CYP3a4-sub | 0.303 |
CL | 9.276 |
T12 | 0.622 |
hERG | 0.042 |
Ames | 0.125 |
ROA | 0.769 |
SkinSen | 0.945 |
Carcinogencity | 0.422 |
EI | 0.924 |
Respiratory | 0.92 |
NR-Aromatase | 0.849 |
Antiviral | Yes |
Prediction | 0.689863 |