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

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Chemoinformaics analysis of  Lysozyme


Physiochemical Properties
Molecular Weight 2235.6 nRot 70
Heavy Atom Molecular Weight 2075.32 nRig 51
Exact Molecular Weight 2234.24 nRing 5
Solubility: LogS -2.502 nHRing 3
Solubility: LogP -3.559 No. of Aliphatic Rings 1
Acid Count 2 No. of Aromatic Rings 4
Base Count 16 No. of Aliphatic Carbocycles Rings 0
Atoms Count 318 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 159 No. of Aromatic Carbocycles 2
nHetero 60 No. of Aromatic Hetero Cycles 2
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 159 No. of Saturated Hetero Cycles 1
No. of Carbon atom 99 No. of Saturated Rings 1
No. of Nitrogen atom 37 No. of Arom Atom 18
No. of Oxygen atom 23 No. of Arom Bond 20
nHA 27 APOL 330.496
nHD 38 BPOL 187.998
Medicinal Chemistry Properties
QED 0.011
Synth 7.989
Natural Product Likeliness 0.078
NR-PPAR-gamma 0.002
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 1
HIA 1
CACO-2 -6.834
Distribution
MDCK 0.00000285
BBB 0.005
PPB 0.313818
VDSS 0.319
Metabolism
FU 0.209171
CYP1A2-inh 0
CYP1A2-sub 0
CYP2c19-inh 0.001
CYP2c19-sub 0.002
CYP2c9-inh 0.023
CYP2c9-sub 0
CYP2d6-inh 0
CYP2d6-sub 0.011
CYP3a4-inh 0
CYP3a4-sub 0
Excretion
CL -1.114
T12 0.468
Toxicity
hERG 0
Ames 0
ROA 0.991
SkinSen 0.003
Carcinogencity 0
EI 0
Respiratory 0.002
NR-Aromatase 0
Antiviral Prediction
Antiviral Yes
Prediction 0.888687
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