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

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Chemoinformaics analysis of RHAMNOCITRIN


Physiochemical Properties
Molecular Weight 300.266 nRot 2
Heavy Atom Molecular Weight 288.17 nRig 18
Exact Molecular Weight 300.063 nRing 3
Solubility: LogS -3.663 nHRing 1
Solubility: LogP 3.318 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 34 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 22 No. of Aromatic Carbocycles 2
nHetero 6 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 12 No. of Saturated Hetero Cycles 0
No. of Carbon atom 16 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 6 No. of Arom Bond 17
nHA 6 APOL 39.5335
nHD 3 BPOL 16.3785
Medicinal Chemistry Properties
QED 0.672
Synth 2.289
Natural Product Likeliness 1.333
NR-PPAR-gamma 0.968
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.046
Pgp-sub 0.018
HIA 0.009
CACO-2 -4.892
Distribution
MDCK 0.0000109
BBB 0.009
PPB 0.977127
VDSS 0.612
Metabolism
FU 0.0467181
CYP1A2-inh 0.971
CYP1A2-sub 0.677
CYP2c19-inh 0.511
CYP2c19-sub 0.055
CYP2c9-inh 0.727
CYP2c9-sub 0.912
CYP2d6-inh 0.73
CYP2d6-sub 0.591
CYP3a4-inh 0.612
CYP3a4-sub 0.114
Excretion
CL 5.318
T12 0.863
Toxicity
hERG 0.051
Ames 0.655
ROA 0.148
SkinSen 0.649
Carcinogencity 0.099
EI 0.919
Respiratory 0.125
NR-Aromatase 0.921
Antiviral Prediction
Antiviral Yes
Prediction 0.792396
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A database of all the medicinal plants having PAN India presence.
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