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

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Chemoinformaics analysis of LAURIFOLINE


Physiochemical Properties
Molecular Weight 342.415 nRot 2
Heavy Atom Molecular Weight 318.223 nRig 20
Exact Molecular Weight 342.17 nRing 4
Solubility: LogS -0.14 nHRing 1
Solubility: LogP 0.175 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 2
Base Count 1 No. of Aliphatic Carbocycles Rings 1
Atoms Count 49 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 25 No. of Aromatic Carbocycles 2
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 24 No. of Saturated Hetero Cycles 0
No. of Carbon atom 20 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 12
No. of Oxygen atom 4 No. of Arom Bond 12
nHA 4 APOL 53.711
nHD 2 BPOL 29.829
Medicinal Chemistry Properties
QED 0.824
Synth 3.522
Natural Product Likeliness 2.16
NR-PPAR-gamma 0.022
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.001
Pgp-sub 0.987
HIA 0.967
CACO-2 -5.78
Distribution
MDCK 0.00000386
BBB 0.108
PPB 0.361042
VDSS 2.092
Metabolism
FU 0.440606
CYP1A2-inh 0.108
CYP1A2-sub 0.958
CYP2c19-inh 0.015
CYP2c19-sub 0.095
CYP2c9-inh 0.001
CYP2c9-sub 0.39
CYP2d6-inh 0.017
CYP2d6-sub 0.93
CYP3a4-inh 0.031
CYP3a4-sub 0.517
Excretion
CL 3.6
T12 0.912
Toxicity
hERG 0.094
Ames 0.107
ROA 0.133
SkinSen 0.155
Carcinogencity 0.013
EI 0.012
Respiratory 0.457
NR-Aromatase 0.014
Antiviral Prediction
Antiviral Yes
Prediction 0.675335
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A database of all the medicinal plants having PAN India presence.
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