Chemoinformaics analysis of Tetrazol-5-amine
Molecular Weight | 85.07 | nRot | 0 |
Heavy Atom Molecular Weight | 82.046 | nRig | 6 |
Exact Molecular Weight | 85.0388 | nRing | 1 |
Solubility: LogS | -0.824 | nHRing | 1 |
Solubility: LogP | -2.226 | No. of Aliphatic Rings | 0 |
Acid Count | 2 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 9 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 6 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 3 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 1 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 5 | No. of Arom Atom | 5 |
No. of Oxygen atom | 0 | No. of Arom Bond | 5 |
nHA | 4 | APOL | 9.17038 |
nHD | 2 | BPOL | 3.00962 |
QED | 0.362 |
Synth | 5.063 |
Natural Product Likeliness | -0.342 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.993 |
HIA | 0.056 |
CACO-2 | -6.016 |
MDCK | 0.00000764 |
BBB | 0.596 |
PPB | 0.0913285 |
VDSS | 0.953 |
FU | 0.771165 |
CYP1A2-inh | 0.002 |
CYP1A2-sub | 0.618 |
CYP2c19-inh | 0.05 |
CYP2c19-sub | 0.048 |
CYP2c9-inh | 0.025 |
CYP2c9-sub | 0.357 |
CYP2d6-inh | 0.002 |
CYP2d6-sub | 0.083 |
CYP3a4-inh | 0.001 |
CYP3a4-sub | 0.058 |
CL | 3.181 |
T12 | 0.854 |
hERG | 0.016 |
Ames | 0.487 |
ROA | 0.033 |
SkinSen | 0.408 |
Carcinogencity | 0.81 |
EI | 0.995 |
Respiratory | 0.901 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.905 |