Chemoinformaics analysis of FUKIIC-ACID
Molecular Weight | 272.209 | nRot | 5 |
Heavy Atom Molecular Weight | 260.113 | nRig | 8 |
Exact Molecular Weight | 272.053 | nRing | 1 |
Solubility: LogS | -1.106 | nHRing | 0 |
Solubility: LogP | -0.438 | No. of Aliphatic Rings | 0 |
Acid Count | 2 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 31 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 19 | No. of Aromatic Carbocycles | 1 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 11 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
No. of Oxygen atom | 8 | No. of Arom Bond | 6 |
nHA | 6 | APOL | 32.7875 |
nHD | 6 | BPOL | 13.7745 |
QED | 0.211 |
Synth | 3.374 |
Natural Product Likeliness | 0.832 |
NR-PPAR-gamma | 0.008 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.534 |
HIA | 0.16 |
CACO-2 | -6.233 |
MDCK | 0.003477 |
BBB | 0.228 |
PPB | 0.538137 |
VDSS | 0.525 |
FU | 0.548368 |
CYP1A2-inh | 0.008 |
CYP1A2-sub | 0.088 |
CYP2c19-inh | 0.028 |
CYP2c19-sub | 0.055 |
CYP2c9-inh | 0.017 |
CYP2c9-sub | 0.283 |
CYP2d6-inh | 0.003 |
CYP2d6-sub | 0.145 |
CYP3a4-inh | 0.028 |
CYP3a4-sub | 0.017 |
CL | 1.334 |
T12 | 0.909 |
hERG | 0.006 |
Ames | 0.053 |
ROA | 0.046 |
SkinSen | 0.2 |
Carcinogencity | 0.056 |
EI | 0.542 |
Respiratory | 0.068 |
NR-Aromatase | 0.036 |
Antiviral | No |
Prediction | 0.568049 |