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

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Chemoinformaics analysis of 4-HYDROXY-PIPECOLIC-ACID


Physiochemical Properties
Molecular Weight 145.158 nRot 1
Heavy Atom Molecular Weight 134.07 nRig 7
Exact Molecular Weight 145.074 nRing 1
Solubility: LogS -0.201 nHRing 1
Solubility: LogP -2.667 No. of Aliphatic Rings 1
Acid Count 1 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 21 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 10 No. of Aromatic Carbocycles 0
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 11 No. of Saturated Hetero Cycles 1
No. of Carbon atom 6 No. of Saturated Rings 1
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 3 No. of Arom Bond 0
nHA 3 APOL 20.8607
nHD 3 BPOL 12.4733
Medicinal Chemistry Properties
QED 0.451
Synth 3.269
Natural Product Likeliness 1.739
NR-PPAR-gamma 0.01
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.008
HIA 0.609
CACO-2 -5.989
Distribution
MDCK 0.000968616
BBB 0.396
PPB 0.109941
VDSS 0.552
Metabolism
FU 0.939281
CYP1A2-inh 0.007
CYP1A2-sub 0.064
CYP2c19-inh 0.03
CYP2c19-sub 0.064
CYP2c9-inh 0.005
CYP2c9-sub 0.409
CYP2d6-inh 0.005
CYP2d6-sub 0.183
CYP3a4-inh 0.003
CYP3a4-sub 0.017
Excretion
CL 5.849
T12 0.663
Toxicity
hERG 0.017
Ames 0.012
ROA 0.036
SkinSen 0.289
Carcinogencity 0.115
EI 0.577
Respiratory 0.31
NR-Aromatase 0.003
Antiviral Prediction
Antiviral No
Prediction 0.952995
OSADHI

A database of all the medicinal plants having PAN India presence.
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