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

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Chemoinformaics analysis of  L-Saccharopine


Physiochemical Properties
Molecular Weight 276.289 nRot 11
Heavy Atom Molecular Weight 256.129 nRig 3
Exact Molecular Weight 276.132 nRing 0
Solubility: LogS -1.892 nHRing 0
Solubility: LogP -4.777 No. of Aliphatic Rings 0
Acid Count 3 No. of Aromatic Rings 0
Base Count 2 No. of Aliphatic Carbocycles Rings 0
Atoms Count 39 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 19 No. of Aromatic Carbocycles 0
nHetero 8 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 20 No. of Saturated Hetero Cycles 0
No. of Carbon atom 11 No. of Saturated Rings 0
No. of Nitrogen atom 2 No. of Arom Atom 0
No. of Oxygen atom 6 No. of Arom Bond 0
nHA 5 APOL 38.7179
nHD 5 BPOL 22.6681
Medicinal Chemistry Properties
QED 0.316
Synth 2.865
Natural Product Likeliness 0.771
NR-PPAR-gamma 0.031
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0
Pgp-sub 0.035
HIA 0.931
CACO-2 -6.331
Distribution
MDCK 0.00123791
BBB 0.195
PPB 0.138256
VDSS 0.659
Metabolism
FU 0.814845
CYP1A2-inh 0.001
CYP1A2-sub 0.01
CYP2c19-inh 0.027
CYP2c19-sub 0.033
CYP2c9-inh 0.008
CYP2c9-sub 0.196
CYP2d6-inh 0.008
CYP2d6-sub 0.134
CYP3a4-inh 0.006
CYP3a4-sub 0.001
Excretion
CL 3.27
T12 0.607
Toxicity
hERG 0.015
Ames 0.018
ROA 0.009
SkinSen 0.175
Carcinogencity 0.083
EI 0.08
Respiratory 0.083
NR-Aromatase 0.004
Antiviral Prediction
Antiviral Yes
Prediction 0.668199
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