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

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Chemoinformaics analysis of Eduline


Physiochemical Properties
Molecular Weight 265.312 nRot 2
Heavy Atom Molecular Weight 250.192 nRig 18
Exact Molecular Weight 265.11 nRing 3
Solubility: LogS -4.529 nHRing 1
Solubility: LogP 3.225 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 35 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 20 No. of Aromatic Carbocycles 2
nHetero 3 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 15 No. of Saturated Hetero Cycles 0
No. of Carbon atom 17 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 16
No. of Oxygen atom 2 No. of Arom Bond 17
nHA 3 APOL 41.0959
nHD 0 BPOL 19.3621
Medicinal Chemistry Properties
QED 0.712
Synth 1.917
Natural Product Likeliness -0.211
NR-PPAR-gamma 0.003
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.011
Pgp-sub 0.004
HIA 0.005
CACO-2 -4.775
Distribution
MDCK 0.0000315
BBB 0.841
PPB 0.96937
VDSS 0.695
Metabolism
FU 0.0165201
CYP1A2-inh 0.968
CYP1A2-sub 0.942
CYP2c19-inh 0.877
CYP2c19-sub 0.31
CYP2c9-inh 0.657
CYP2c9-sub 0.911
CYP2d6-inh 0.37
CYP2d6-sub 0.926
CYP3a4-inh 0.51
CYP3a4-sub 0.288
Excretion
CL 6.165
T12 0.213
Toxicity
hERG 0.171
Ames 0.928
ROA 0.119
SkinSen 0.709
Carcinogencity 0.792
EI 0.943
Respiratory 0.741
NR-Aromatase 0.13
Antiviral Prediction
Antiviral Yes
Prediction 0.713581
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A database of all the medicinal plants having PAN India presence.
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