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

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Chemoinformaics analysis of ERIOFLORIN


Physiochemical Properties
Molecular Weight 348.395 nRot 2
Heavy Atom Molecular Weight 324.203 nRig 20
Exact Molecular Weight 348.157 nRing 3
Solubility: LogS -2.08 nHRing 2
Solubility: LogP 1.111 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 49 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 25 No. of Aromatic Carbocycles 0
nHetero 6 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 24 No. of Saturated Hetero Cycles 2
No. of Carbon atom 19 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 6 No. of Arom Bond 0
nHA 6 APOL 52.545
nHD 1 BPOL 31.021
Medicinal Chemistry Properties
QED 0.355
Synth 5.158
Natural Product Likeliness 3.485
NR-PPAR-gamma 0.961
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0
Pgp-sub 0.001
HIA 0.683
CACO-2 -4.949
Distribution
MDCK 0.0000152
BBB 0.334
PPB 0.464222
VDSS 1.3
Metabolism
FU 0.261311
CYP1A2-inh 0.044
CYP1A2-sub 0.214
CYP2c19-inh 0.107
CYP2c19-sub 0.608
CYP2c9-inh 0.421
CYP2c9-sub 0.083
CYP2d6-inh 0.006
CYP2d6-sub 0.22
CYP3a4-inh 0.26
CYP3a4-sub 0.276
Excretion
CL 12.217
T12 0.204
Toxicity
hERG 0.008
Ames 0.05
ROA 0.649
SkinSen 0.289
Carcinogencity 0.126
EI 0.095
Respiratory 0.856
NR-Aromatase 0.714
Antiviral Prediction
Antiviral Yes
Prediction 0.74413
OSADHI

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