Chemoinformaics analysis of FILICINIC ACID
Molecular Weight | 154.165 | nRot | 0 |
Heavy Atom Molecular Weight | 144.085 | nRig | 9 |
Exact Molecular Weight | 154.063 | nRing | 1 |
Solubility: LogS | -1.163 | nHRing | 0 |
Solubility: LogP | 0.809 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 21 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 0 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 10 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 8 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 3 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 22.4339 |
nHD | 2 | BPOL | 10.9001 |
QED | 0.478 |
Synth | 3.14 |
Natural Product Likeliness | 1.262 |
NR-PPAR-gamma | 0.083 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.186 |
Pgp-sub | 0.941 |
HIA | 0.006 |
CACO-2 | -5.202 |
MDCK | 0.0000311 |
BBB | 0.182 |
PPB | 0.511522 |
VDSS | 0.382 |
FU | 0.748066 |
CYP1A2-inh | 0.01 |
CYP1A2-sub | 0.708 |
CYP2c19-inh | 0.026 |
CYP2c19-sub | 0.774 |
CYP2c9-inh | 0.011 |
CYP2c9-sub | 0.834 |
CYP2d6-inh | 0.002 |
CYP2d6-sub | 0.123 |
CYP3a4-inh | 0.01 |
CYP3a4-sub | 0.556 |
CL | 2.916 |
T12 | 0.964 |
hERG | 0.026 |
Ames | 0.701 |
ROA | 0.351 |
SkinSen | 0.895 |
Carcinogencity | 0.033 |
EI | 0.966 |
Respiratory | 0.975 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.898169 |