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

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Chemoinformaics analysis of Flavoplatycoside


Physiochemical Properties
Molecular Weight 612.537 nRot 6
Heavy Atom Molecular Weight 580.281 nRig 30
Exact Molecular Weight 612.169 nRing 5
Solubility: LogS -0.958 nHRing 3
Solubility: LogP -0.698 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 75 No. of Aliphatic Hetero Cycles 3
No. of Heavy Atom 43 No. of Aromatic Carbocycles 2
nHetero 16 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 32 No. of Saturated Hetero Cycles 2
No. of Carbon atom 27 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 16 No. of Arom Bond 12
nHA 16 APOL 79.2594
nHD 10 BPOL 41.6506
Medicinal Chemistry Properties
QED 0.152
Synth 5.068
Natural Product Likeliness 1.868
NR-PPAR-gamma 0.049
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.002
Pgp-sub 0.999
HIA 0.833
CACO-2 -6.756
Distribution
MDCK 0.0000379
BBB 0.063
PPB 0.784071
VDSS 0.307
Metabolism
FU 0.164914
CYP1A2-inh 0.015
CYP1A2-sub 0.03
CYP2c19-inh 0.028
CYP2c19-sub 0.069
CYP2c9-inh 0.005
CYP2c9-sub 0.399
CYP2d6-inh 0.014
CYP2d6-sub 0.143
CYP3a4-inh 0.014
CYP3a4-sub 0.019
Excretion
CL 1.181
T12 0.6
Toxicity
hERG 0.051
Ames 0.486
ROA 0.066
SkinSen 0.933
Carcinogencity 0.039
EI 0.281
Respiratory 0.064
NR-Aromatase 0.7
Antiviral Prediction
Antiviral Yes
Prediction 0.782026
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A database of all the medicinal plants having PAN India presence.
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