OSADHI - Online Structural and Analytics based Database for Herbs of India

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Chemoinformaics analysis of  Lidocaine


Physiochemical Properties
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
Medicinal Chemistry Properties
QED 0.849
Synth 1.811
Natural Product Likeliness -1.687
NR-PPAR-gamma 0.005
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.008
Pgp-sub 0.989
HIA 0.003
CACO-2 -4.367
Distribution
MDCK 0.000022
BBB 0.774
PPB 0.687868
VDSS 1.46
Metabolism
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
Excretion
CL 16.174
T12 0.888
Toxicity
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 Prediction
Antiviral Yes
Prediction 0.852924
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