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

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Chemoinformaics analysis of 4-HYDROXY-PROLINE


Physiochemical Properties
Molecular Weight 131.131 nRot 1
Heavy Atom Molecular Weight 122.059 nRig 6
Exact Molecular Weight 131.058 nRing 1
Solubility: LogS -0.143 nHRing 1
Solubility: LogP -2.488 No. of Aliphatic Rings 1
Acid Count 1 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 18 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 9 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 1
No. of Carbon atom 5 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 17.8571
nHD 3 BPOL 10.4669
Medicinal Chemistry Properties
QED 0.418
Synth 3.31
Natural Product Likeliness 1.414
NR-PPAR-gamma 0.006
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.007
HIA 0.232
CACO-2 -6.02
Distribution
MDCK 0.00106598
BBB 0.476
PPB 0.086471
VDSS 0.457
Metabolism
FU 0.9061
CYP1A2-inh 0.008
CYP1A2-sub 0.054
CYP2c19-inh 0.042
CYP2c19-sub 0.062
CYP2c9-inh 0.006
CYP2c9-sub 0.311
CYP2d6-inh 0.008
CYP2d6-sub 0.199
CYP3a4-inh 0.005
CYP3a4-sub 0.02
Excretion
CL 5.056
T12 0.716
Toxicity
hERG 0.015
Ames 0.007
ROA 0.074
SkinSen 0.27
Carcinogencity 0.089
EI 0.181
Respiratory 0.363
NR-Aromatase 0.002
Antiviral Prediction
Antiviral No
Prediction 0.95967
OSADHI

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