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

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Chemoinformaics analysis of MIMONOSIDE C


Physiochemical Properties
Molecular Weight 1485.62 nRot 16
Heavy Atom Molecular Weight 1372.72 nRig 69
Exact Molecular Weight 1484.7 nRing 12
Solubility: LogS -0.769 nHRing 7
Solubility: LogP -1.959 No. of Aliphatic Rings 12
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 5
Atoms Count 215 No. of Aliphatic Hetero Cycles 7
No. of Heavy Atom 103 No. of Aromatic Carbocycles 0
nHetero 34 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 4
No. of Hydrogen atom 112 No. of Saturated Hetero Cycles 7
No. of Carbon atom 69 No. of Saturated Rings 11
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 34 No. of Arom Bond 0
nHA 34 APOL 217.179
nHD 19 BPOL 137.531
Medicinal Chemistry Properties
QED 0.039
Synth 5.976
Natural Product Likeliness 1.851
NR-PPAR-gamma 0.892
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.863
Pgp-sub 0.051
HIA 1
CACO-2 -6.224
Distribution
MDCK 0.00156316
BBB 0.163
PPB 0.32613
VDSS -0.927
Metabolism
FU 0.167604
CYP1A2-inh 0
CYP1A2-sub 0.007
CYP2c19-inh 0
CYP2c19-sub 0.043
CYP2c9-inh 0
CYP2c9-sub 0.017
CYP2d6-inh 0
CYP2d6-sub 0.039
CYP3a4-inh 0.002
CYP3a4-sub 0
Excretion
CL -1.054
T12 0.005
Toxicity
hERG 0.001
Ames 0.046
ROA 0.395
SkinSen 0
Carcinogencity 0.012
EI 0
Respiratory 0.003
NR-Aromatase 0.647
Antiviral Prediction
Antiviral Yes
Prediction 0.83964
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A database of all the medicinal plants having PAN India presence.
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