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

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Chemoinformaics analysis of L-(+)-Homoserine


Physiochemical Properties
Molecular Weight 119.12 nRot 3
Heavy Atom Molecular Weight 110.048 nRig 1
Exact Molecular Weight 119.058 nRing 0
Solubility: LogS 0.036 nHRing 0
Solubility: LogP -3.17 No. of Aliphatic Rings 0
Acid Count 1 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 17 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 8 No. of Aromatic Carbocycles 0
nHetero 4 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 4 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 3 No. of Arom Bond 0
nHA 3 APOL 16.1871
nHD 3 BPOL 9.32686
Medicinal Chemistry Properties
QED 0.435
Synth 2.656
Natural Product Likeliness 1.623
NR-PPAR-gamma 0.004
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0.001
Pgp-sub 0.027
HIA 0.037
CACO-2 -5.97
Distribution
MDCK 0.0116955
BBB 0.635
PPB 0.0896366
VDSS 0.478
Metabolism
FU 0.93425
CYP1A2-inh 0.008
CYP1A2-sub 0.04
CYP2c19-inh 0.03
CYP2c19-sub 0.053
CYP2c9-inh 0.011
CYP2c9-sub 0.259
CYP2d6-inh 0.02
CYP2d6-sub 0.159
CYP3a4-inh 0.01
CYP3a4-sub 0.02
Excretion
CL 6.125
T12 0.71
Toxicity
hERG 0.017
Ames 0.025
ROA 0.019
SkinSen 0.262
Carcinogencity 0.034
EI 0.178
Respiratory 0.134
NR-Aromatase 0.004
Antiviral Prediction
Antiviral No
Prediction 0.928133
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