Chemoinformaics analysis of Nortropine
Molecular Weight | 127.187 | nRot | 0 |
Heavy Atom Molecular Weight | 114.083 | nRig | 9 |
Exact Molecular Weight | 127.1 | nRing | 2 |
Solubility: LogS | 0.363 | nHRing | 2 |
Solubility: LogP | -0.671 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 22 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 9 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 13 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 7 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 22.2603 |
nHD | 2 | BPOL | 13.6117 |
QED | 0.489 |
Synth | 4.707 |
Natural Product Likeliness | 1.77 |
NR-PPAR-gamma | 0.02 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.993 |
HIA | 0.074 |
CACO-2 | -5.044 |
MDCK | 0.0000396 |
BBB | 0.134 |
PPB | 0.0971049 |
VDSS | 1.912 |
FU | 0.924215 |
CYP1A2-inh | 0.032 |
CYP1A2-sub | 0.407 |
CYP2c19-inh | 0.038 |
CYP2c19-sub | 0.378 |
CYP2c9-inh | 0.005 |
CYP2c9-sub | 0.089 |
CYP2d6-inh | 0.005 |
CYP2d6-sub | 0.283 |
CYP3a4-inh | 0.003 |
CYP3a4-sub | 0.194 |
CL | 8.095 |
T12 | 0.398 |
hERG | 0.038 |
Ames | 0.413 |
ROA | 0.022 |
SkinSen | 0.941 |
Carcinogencity | 0.524 |
EI | 0.712 |
Respiratory | 0.944 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.959858 |