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

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Chemoinformaics analysis of  L-(+)-Homoserine


Physiochemical Properties
Molecular Weight 213.233 nRot 5
Heavy Atom Molecular Weight 198.113 nRig 6
Exact Molecular Weight 213.1 nRing 1
Solubility: LogS -1.289 nHRing 1
Solubility: LogP 0.698 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 30 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 15 No. of Aromatic Carbocycles 0
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 15 No. of Saturated Hetero Cycles 1
No. of Carbon atom 10 No. of Saturated Rings 1
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 4 No. of Arom Bond 0
nHA 4 APOL 31.0099
nHD 1 BPOL 19.9581
Medicinal Chemistry Properties
QED 0.691
Synth 3.191
Natural Product Likeliness 0.282
NR-PPAR-gamma 0.113
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0
Pgp-sub 0.147
HIA 0.022
CACO-2 -4.715
Distribution
MDCK 0.0000142
BBB 0.989
PPB 0.713263
VDSS 0.682
Metabolism
FU 0.47027
CYP1A2-inh 0.043
CYP1A2-sub 0.218
CYP2c19-inh 0.039
CYP2c19-sub 0.281
CYP2c9-inh 0.148
CYP2c9-sub 0.857
CYP2d6-inh 0.007
CYP2d6-sub 0.256
CYP3a4-inh 0.01
CYP3a4-sub 0.193
Excretion
CL 15.144
T12 0.89
Toxicity
hERG 0.009
Ames 0.024
ROA 0.538
SkinSen 0.482
Carcinogencity 0.855
EI 0.067
Respiratory 0.293
NR-Aromatase 0.006
Antiviral Prediction
Antiviral No
Prediction 0.869992
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