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

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Chemoinformaics analysis of LOMATIN


Physiochemical Properties
Molecular Weight 246.262 nRot 0
Heavy Atom Molecular Weight 232.15 nRig 17
Exact Molecular Weight 246.089 nRing 3
Solubility: LogS -3.151 nHRing 2
Solubility: LogP 2.279 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 32 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 18 No. of Aromatic Carbocycles 1
nHetero 4 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 14 No. of Saturated Hetero Cycles 0
No. of Carbon atom 14 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 10
No. of Oxygen atom 4 No. of Arom Bond 11
nHA 4 APOL 35.9231
nHD 1 BPOL 18.3849
Medicinal Chemistry Properties
QED 0.721
Synth 3.198
Natural Product Likeliness 2.309
NR-PPAR-gamma 0.577
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.006
Pgp-sub 0.236
HIA 0.009
CACO-2 -4.745
Distribution
MDCK 0.0000217
BBB 0.133
PPB 0.896948
VDSS 0.895
Metabolism
FU 0.1118
CYP1A2-inh 0.878
CYP1A2-sub 0.832
CYP2c19-inh 0.208
CYP2c19-sub 0.235
CYP2c9-inh 0.152
CYP2c9-sub 0.718
CYP2d6-inh 0.227
CYP2d6-sub 0.559
CYP3a4-inh 0.026
CYP3a4-sub 0.314
Excretion
CL 11.18
T12 0.409
Toxicity
hERG 0.017
Ames 0.096
ROA 0.713
SkinSen 0.13
Carcinogencity 0.926
EI 0.019
Respiratory 0.796
NR-Aromatase 0.74
Antiviral Prediction
Antiviral Yes
Prediction 0.627821
OSADHI

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

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