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

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Chemoinformaics analysis of LONICEROSIDE B


Physiochemical Properties
Molecular Weight 1191.36 nRot 12
Heavy Atom Molecular Weight 1096.61 nRig 57
Exact Molecular Weight 1190.61 nRing 10
Solubility: LogS -1.701 nHRing 5
Solubility: LogP -0.106 No. of Aliphatic Rings 10
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 5
Atoms Count 177 No. of Aliphatic Hetero Cycles 5
No. of Heavy Atom 83 No. of Aromatic Carbocycles 0
nHetero 25 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 4
No. of Hydrogen atom 94 No. of Saturated Hetero Cycles 5
No. of Carbon atom 58 No. of Saturated Rings 9
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 25 No. of Arom Bond 0
nHA 25 APOL 179.589
nHD 14 BPOL 112.529
Medicinal Chemistry Properties
QED 0.058
Synth 7.202
Natural Product Likeliness 2.144
NR-PPAR-gamma 0.853
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.947
Pgp-sub 0.02
HIA 0.999
CACO-2 -5.923
Distribution
MDCK 0.000294583
BBB 0.077
PPB 0.689221
VDSS -0.379
Metabolism
FU 0.123017
CYP1A2-inh 0
CYP1A2-sub 0.089
CYP2c19-inh 0
CYP2c19-sub 0.063
CYP2c9-inh 0
CYP2c9-sub 0.025
CYP2d6-inh 0
CYP2d6-sub 0.073
CYP3a4-inh 0.009
CYP3a4-sub 0.003
Excretion
CL -0.054
T12 0.01
Toxicity
hERG 0.001
Ames 0.078
ROA 0.313
SkinSen 0
Carcinogencity 0.025
EI 0.001
Respiratory 0.015
NR-Aromatase 0.669
Antiviral Prediction
Antiviral Yes
Prediction 0.824503
OSADHI

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