Chemoinformaics analysis of Fibraurin
Molecular Weight | 372.373 | nRot | 1 |
Heavy Atom Molecular Weight | 352.213 | nRig | 28 |
Exact Molecular Weight | 372.121 | nRing | 7 |
Solubility: LogS | -4.264 | nHRing | 5 |
Solubility: LogP | 2.414 | No. of Aliphatic Rings | 6 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 47 | No. of Aliphatic Hetero Cycles | 4 |
No. of Heavy Atom | 27 | No. of Aromatic Carbocycles | 0 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 2 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 20 | No. of Saturated Hetero Cycles | 4 |
No. of Carbon atom | 20 | No. of Saturated Rings | 5 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 5 |
No. of Oxygen atom | 7 | No. of Arom Bond | 5 |
nHA | 7 | APOL | 52.3499 |
nHD | 1 | BPOL | 28.7441 |
QED | 0.591 |
Synth | 6.042 |
Natural Product Likeliness | 3.404 |
NR-PPAR-gamma | 0.045 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.923 |
Pgp-sub | 0.009 |
HIA | 0.012 |
CACO-2 | -5.249 |
MDCK | 0.0000302 |
BBB | 0.71 |
PPB | 0.907042 |
VDSS | 2.424 |
FU | 0.116284 |
CYP1A2-inh | 0.116 |
CYP1A2-sub | 0.487 |
CYP2c19-inh | 0.36 |
CYP2c19-sub | 0.509 |
CYP2c9-inh | 0.176 |
CYP2c9-sub | 0.031 |
CYP2d6-inh | 0.046 |
CYP2d6-sub | 0.138 |
CYP3a4-inh | 0.936 |
CYP3a4-sub | 0.294 |
CL | 13.094 |
T12 | 0.103 |
hERG | 0.039 |
Ames | 0.326 |
ROA | 0.958 |
SkinSen | 0.196 |
Carcinogencity | 0.89 |
EI | 0.127 |
Respiratory | 0.968 |
NR-Aromatase | 0.888 |
Antiviral | Yes |
Prediction | 0.636424 |