Chemoinformaics analysis of N-PENTYL-AMINE
Molecular Weight | 87.166 | nRot | 3 |
Heavy Atom Molecular Weight | 74.062 | nRig | 0 |
Exact Molecular Weight | 87.1048 | nRing | 0 |
Solubility: LogS | 0.134 | nHRing | 0 |
Solubility: LogP | 1.336 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 19 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 6 | No. of Aromatic Carbocycles | 0 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 13 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 5 | 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 | 18.1183 |
nHD | 1 | BPOL | 12.4717 |
QED | 0.513 |
Synth | 1.61 |
Natural Product Likeliness | 0.784 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.008 |
HIA | 0.009 |
CACO-2 | -4.796 |
MDCK | 0.0000339 |
BBB | 0.895 |
PPB | 0.108164 |
VDSS | 1.253 |
FU | 0.856337 |
CYP1A2-inh | 0.658 |
CYP1A2-sub | 0.689 |
CYP2c19-inh | 0.048 |
CYP2c19-sub | 0.812 |
CYP2c9-inh | 0.015 |
CYP2c9-sub | 0.352 |
CYP2d6-inh | 0.029 |
CYP2d6-sub | 0.871 |
CYP3a4-inh | 0.016 |
CYP3a4-sub | 0.215 |
CL | 7.935 |
T12 | 0.581 |
hERG | 0.073 |
Ames | 0.015 |
ROA | 0.955 |
SkinSen | 0.693 |
Carcinogencity | 0.108 |
EI | 0.453 |
Respiratory | 0.95 |
NR-Aromatase | 0.007 |
Antiviral | No |
Prediction | 0.952365 |