Chemoinformaics analysis of HYDROCYANIC ACID
Molecular Weight | 27.026 | nRot | 0 |
Heavy Atom Molecular Weight | 26.018 | nRig | 1 |
Exact Molecular Weight | 27.0109 | nRing | 0 |
Solubility: LogS | 0.867 | nHRing | 0 |
Solubility: LogP | -0.334 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 3 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 2 | No. of Aromatic Carbocycles | 0 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 1 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 1 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 0 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 3.43679 |
nHD | 0 | BPOL | 1.57321 |
QED | 0.37 |
Synth | 4.026 |
Natural Product Likeliness | -0.645 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.006 |
HIA | 0.005 |
CACO-2 | -4.406 |
MDCK | 0.0000684 |
BBB | 0.942 |
PPB | 0.142825 |
VDSS | 0.871 |
FU | 0.838564 |
CYP1A2-inh | 0.425 |
CYP1A2-sub | 0.854 |
CYP2c19-inh | 0.035 |
CYP2c19-sub | 0.094 |
CYP2c9-inh | 0.005 |
CYP2c9-sub | 0.583 |
CYP2d6-inh | 0.006 |
CYP2d6-sub | 0.164 |
CYP3a4-inh | 0.005 |
CYP3a4-sub | 0.197 |
CL | 6.791 |
T12 | 0.873 |
hERG | 0.013 |
Ames | 0.166 |
ROA | 0.98 |
SkinSen | 0.622 |
Carcinogencity | 0.85 |
EI | 0.997 |
Respiratory | 0.982 |
NR-Aromatase | 0.006 |
Antiviral | No |
Prediction | 0.922667 |