Chemoinformaics analysis of Lidocaine
Molecular Weight | 234.343 | nRot | 5 |
Heavy Atom Molecular Weight | 212.167 | nRig | 7 |
Exact Molecular Weight | 234.173 | nRing | 1 |
Solubility: LogS | -1.323 | nHRing | 0 |
Solubility: LogP | 2.1 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 39 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 17 | No. of Aromatic Carbocycles | 1 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 14 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 6 |
No. of Oxygen atom | 1 | No. of Arom Bond | 6 |
nHA | 2 | APOL | 41.0514 |
nHD | 1 | BPOL | 25.2186 |
QED | 0.849 |
Synth | 1.811 |
Natural Product Likeliness | -1.687 |
NR-PPAR-gamma | 0.005 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.008 |
Pgp-sub | 0.989 |
HIA | 0.003 |
CACO-2 | -4.367 |
MDCK | 0.000022 |
BBB | 0.774 |
PPB | 0.687868 |
VDSS | 1.46 |
FU | 0.394976 |
CYP1A2-inh | 0.111 |
CYP1A2-sub | 0.734 |
CYP2c19-inh | 0.106 |
CYP2c19-sub | 0.837 |
CYP2c9-inh | 0.043 |
CYP2c9-sub | 0.368 |
CYP2d6-inh | 0.311 |
CYP2d6-sub | 0.473 |
CYP3a4-inh | 0.044 |
CYP3a4-sub | 0.781 |
CL | 16.174 |
T12 | 0.888 |
hERG | 0.055 |
Ames | 0.223 |
ROA | 0.978 |
SkinSen | 0.519 |
Carcinogencity | 0.106 |
EI | 0.027 |
Respiratory | 0.984 |
NR-Aromatase | 0.004 |
Antiviral | Yes |
Prediction | 0.852924 |