Chemoinformaics analysis of N-PROPYL-AMINE
Molecular Weight | 59.112 | nRot | 1 |
Heavy Atom Molecular Weight | 50.04 | nRig | 0 |
Exact Molecular Weight | 59.0735 | nRing | 0 |
Solubility: LogS | 1.065 | nHRing | 0 |
Solubility: LogP | 0.444 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 13 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 4 | No. of Aromatic Carbocycles | 0 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 9 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 3 | 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 | 12.1111 |
nHD | 1 | BPOL | 8.45886 |
QED | 0.463 |
Synth | 2.008 |
Natural Product Likeliness | 0.353 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.016 |
HIA | 0.006 |
CACO-2 | -4.865 |
MDCK | 0.000506912 |
BBB | 0.855 |
PPB | 0.0599306 |
VDSS | 1.261 |
FU | 0.900743 |
CYP1A2-inh | 0.271 |
CYP1A2-sub | 0.381 |
CYP2c19-inh | 0.03 |
CYP2c19-sub | 0.747 |
CYP2c9-inh | 0.005 |
CYP2c9-sub | 0.396 |
CYP2d6-inh | 0.009 |
CYP2d6-sub | 0.871 |
CYP3a4-inh | 0.006 |
CYP3a4-sub | 0.231 |
CL | 8.122 |
T12 | 0.661 |
hERG | 0.038 |
Ames | 0.026 |
ROA | 0.957 |
SkinSen | 0.471 |
Carcinogencity | 0.162 |
EI | 0.445 |
Respiratory | 0.927 |
NR-Aromatase | 0.005 |
Antiviral | No |
Prediction | 0.955861 |