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

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Chemoinformaics analysis of MINORINE


Physiochemical Properties
Molecular Weight 354.45 nRot 2
Heavy Atom Molecular Weight 328.242 nRig 24
Exact Molecular Weight 354.194 nRing 5
Solubility: LogS -3.055 nHRing 4
Solubility: LogP 3.482 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 2
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 52 No. of Aliphatic Hetero Cycles 3
No. of Heavy Atom 26 No. of Aromatic Carbocycles 1
nHetero 5 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 26 No. of Saturated Hetero Cycles 1
No. of Carbon atom 21 No. of Saturated Rings 1
No. of Nitrogen atom 2 No. of Arom Atom 9
No. of Oxygen atom 3 No. of Arom Bond 10
nHA 5 APOL 57.0126
nHD 1 BPOL 32.1074
Medicinal Chemistry Properties
QED 0.843
Synth 3.926
Natural Product Likeliness 1.388
NR-PPAR-gamma 0.006
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.005
Pgp-sub 0.683
HIA 0.006
CACO-2 -4.909
Distribution
MDCK 0.0000231
BBB 0.993
PPB 0.807951
VDSS 3.568
Metabolism
FU 0.116173
CYP1A2-inh 0.064
CYP1A2-sub 0.655
CYP2c19-inh 0.156
CYP2c19-sub 0.932
CYP2c9-inh 0.075
CYP2c9-sub 0.125
CYP2d6-inh 0.941
CYP2d6-sub 0.735
CYP3a4-inh 0.916
CYP3a4-sub 0.917
Excretion
CL 10.596
T12 0.12
Toxicity
hERG 0.111
Ames 0.068
ROA 0.103
SkinSen 0.036
Carcinogencity 0.949
EI 0.009
Respiratory 0.614
NR-Aromatase 0.274
Antiviral Prediction
Antiviral Yes
Prediction 0.616357
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

Our Other Tools

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  • Aromatic–Aromatic Interactions Database (A2ID)
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