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

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Chemoinformaics analysis of Mukoline


Physiochemical Properties
Molecular Weight 227.263 nRot 2
Heavy Atom Molecular Weight 214.159 nRig 15
Exact Molecular Weight 227.095 nRing 3
Solubility: LogS -3.575 nHRing 1
Solubility: LogP 2.57 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 30 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 17 No. of Aromatic Carbocycles 2
nHetero 3 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 13 No. of Saturated Hetero Cycles 0
No. of Carbon atom 14 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 13
No. of Oxygen atom 2 No. of Arom Bond 15
nHA 2 APOL 34.7523
nHD 2 BPOL 15.3477
Medicinal Chemistry Properties
QED 0.707
Synth 1.992
Natural Product Likeliness 0.469
NR-PPAR-gamma 0.089
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.016
Pgp-sub 0.011
HIA 0.017
CACO-2 -4.807
Distribution
MDCK 0.0000117
BBB 0.891
PPB 0.842352
VDSS 0.886
Metabolism
FU 0.0882077
CYP1A2-inh 0.992
CYP1A2-sub 0.945
CYP2c19-inh 0.792
CYP2c19-sub 0.364
CYP2c9-inh 0.483
CYP2c9-sub 0.871
CYP2d6-inh 0.915
CYP2d6-sub 0.905
CYP3a4-inh 0.711
CYP3a4-sub 0.587
Excretion
CL 8.099
T12 0.696
Toxicity
hERG 0.027
Ames 0.692
ROA 0.071
SkinSen 0.596
Carcinogencity 0.834
EI 0.948
Respiratory 0.967
NR-Aromatase 0.455
Antiviral Prediction
Antiviral Yes
Prediction 0.706466
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A database of all the medicinal plants having PAN India presence.
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