Chemoinformaics analysis of 6-diazo-5-oxo-L-norleucine
Molecular Weight | 171.156 | nRot | 5 |
Heavy Atom Molecular Weight | 162.084 | nRig | 4 |
Exact Molecular Weight | 171.064 | nRing | 0 |
Solubility: LogS | -1.093 | nHRing | 0 |
Solubility: LogP | -1.265 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 21 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 12 | No. of Aromatic Carbocycles | 0 |
nHetero | 6 | 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 | 6 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 3 | No. of Arom Atom | 0 |
No. of Oxygen atom | 3 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 21.7271 |
nHD | 2 | BPOL | 10.7649 |
QED | 0.347 |
Synth | 4.776 |
Natural Product Likeliness | 0.844 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.103 |
HIA | 0.933 |
CACO-2 | -6.124 |
MDCK | 0.00508183 |
BBB | 0.727 |
PPB | 0.235657 |
VDSS | 0.337 |
FU | 0.797715 |
CYP1A2-inh | 0.024 |
CYP1A2-sub | 0.068 |
CYP2c19-inh | 0.064 |
CYP2c19-sub | 0.045 |
CYP2c9-inh | 0.043 |
CYP2c9-sub | 0.143 |
CYP2d6-inh | 0.06 |
CYP2d6-sub | 0.331 |
CYP3a4-inh | 0.007 |
CYP3a4-sub | 0.028 |
CL | 2.089 |
T12 | 0.897 |
hERG | 0.022 |
Ames | 0.993 |
ROA | 0.023 |
SkinSen | 0.765 |
Carcinogencity | 0.928 |
EI | 0.719 |
Respiratory | 0.502 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.87482 |