Chemoinformaics analysis of FORMIC-ACID
Molecular Weight | 46.025 | nRot | 0 |
Heavy Atom Molecular Weight | 44.009 | nRig | 1 |
Exact Molecular Weight | 46.0055 | nRing | 0 |
Solubility: LogS | 0.891 | nHRing | 0 |
Solubility: LogP | -0.581 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 5 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 3 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 2 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 1 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 4.60759 |
nHD | 1 | BPOL | 2.87441 |
QED | 0.38 |
Synth | 3.057 |
Natural Product Likeliness | 1.255 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.029 |
HIA | 0.014 |
CACO-2 | -5.868 |
MDCK | 0.00707798 |
BBB | 0.96 |
PPB | 0.108549 |
VDSS | 0.443 |
FU | 0.871288 |
CYP1A2-inh | 0.018 |
CYP1A2-sub | 0.102 |
CYP2c19-inh | 0.03 |
CYP2c19-sub | 0.061 |
CYP2c9-inh | 0.009 |
CYP2c9-sub | 0.332 |
CYP2d6-inh | 0.049 |
CYP2d6-sub | 0.175 |
CYP3a4-inh | 0.009 |
CYP3a4-sub | 0.029 |
CL | 3.455 |
T12 | 0.854 |
hERG | 0.022 |
Ames | 0.004 |
ROA | 0.021 |
SkinSen | 0.231 |
Carcinogencity | 0.323 |
EI | 0.624 |
Respiratory | 0.138 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.932 |