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

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Chemoinformaics analysis of Rhamnosyl vitexin


Physiochemical Properties
Molecular Weight 902.805 nRot 11
Heavy Atom Molecular Weight 852.405 nRig 42
Exact Molecular Weight 902.269 nRing 7
Solubility: LogS -0.79 nHRing 5
Solubility: LogP -2.427 No. of Aliphatic Rings 4
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 113 No. of Aliphatic Hetero Cycles 4
No. of Heavy Atom 63 No. of Aromatic Carbocycles 2
nHetero 24 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 50 No. of Saturated Hetero Cycles 4
No. of Carbon atom 39 No. of Saturated Rings 4
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 24 No. of Arom Bond 17
nHA 24 APOL 117.718
nHD 15 BPOL 64.9164
Medicinal Chemistry Properties
QED 0.085
Synth 5.92
Natural Product Likeliness 1.637
NR-PPAR-gamma 0.901
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.001
Pgp-sub 0.985
HIA 1
CACO-2 -6.414
Distribution
MDCK 0.000348049
BBB 0.451
PPB 0.628944
VDSS 0.342
Metabolism
FU 0.33083
CYP1A2-inh 0
CYP1A2-sub 0.004
CYP2c19-inh 0.002
CYP2c19-sub 0.046
CYP2c9-inh 0
CYP2c9-sub 0.163
CYP2d6-inh 0
CYP2d6-sub 0.089
CYP3a4-inh 0.002
CYP3a4-sub 0
Excretion
CL 0.55
T12 0.191
Toxicity
hERG 0.013
Ames 0.233
ROA 0.081
SkinSen 0.004
Carcinogencity 0.052
EI 0.002
Respiratory 0.004
NR-Aromatase 0.948
Antiviral Prediction
Antiviral Yes
Prediction 0.765801
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