Chemoinformaics analysis of ORNITHINE
Molecular Weight | 132.163 | nRot | 4 |
Heavy Atom Molecular Weight | 120.067 | nRig | 1 |
Exact Molecular Weight | 132.09 | nRing | 0 |
Solubility: LogS | -0.354 | nHRing | 0 |
Solubility: LogP | -3.779 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 2 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 21 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 9 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 5 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 20.1555 |
nHD | 3 | BPOL | 11.7665 |
QED | 0.464 |
Synth | 2.565 |
Natural Product Likeliness | 1.594 |
NR-PPAR-gamma | 0.005 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.005 |
Pgp-sub | 0.014 |
HIA | 0.132 |
CACO-2 | -6.295 |
MDCK | 0.00817484 |
BBB | 0.323 |
PPB | 0.0752534 |
VDSS | 0.694 |
FU | 0.939739 |
CYP1A2-inh | 0.009 |
CYP1A2-sub | 0.04 |
CYP2c19-inh | 0.027 |
CYP2c19-sub | 0.055 |
CYP2c9-inh | 0.009 |
CYP2c9-sub | 0.119 |
CYP2d6-inh | 0.008 |
CYP2d6-sub | 0.28 |
CYP3a4-inh | 0.008 |
CYP3a4-sub | 0.035 |
CL | 6.328 |
T12 | 0.515 |
hERG | 0.034 |
Ames | 0.317 |
ROA | 0.139 |
SkinSen | 0.476 |
Carcinogencity | 0.08 |
EI | 0.09 |
Respiratory | 0.294 |
NR-Aromatase | 0.006 |
Antiviral | No |
Prediction | 0.94672 |