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

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Chemoinformaics analysis of LINDERANE


Physiochemical Properties
Molecular Weight 260.289 nRot 0
Heavy Atom Molecular Weight 244.161 nRig 20
Exact Molecular Weight 260.105 nRing 4
Solubility: LogS -4.487 nHRing 3
Solubility: LogP 2.849 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 35 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 19 No. of Aromatic Carbocycles 0
nHetero 4 No. of Aromatic Hetero Cycles 1
nBridge Head 2 No. Saturated Carbocycles 0
No. of Hydrogen atom 16 No. of Saturated Hetero Cycles 2
No. of Carbon atom 15 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 5
No. of Oxygen atom 4 No. of Arom Bond 5
nHA 4 APOL 38.9267
nHD 0 BPOL 22.1273
Medicinal Chemistry Properties
QED 0.409
Synth 5.798
Natural Product Likeliness 3.448
NR-PPAR-gamma 0.755
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.017
Pgp-sub 0.031
HIA 0.007
CACO-2 -4.691
Distribution
MDCK 0.0000269
BBB 0.424
PPB 0.906326
VDSS 1.521
Metabolism
FU 0.0680858
CYP1A2-inh 0.075
CYP1A2-sub 0.653
CYP2c19-inh 0.709
CYP2c19-sub 0.604
CYP2c9-inh 0.177
CYP2c9-sub 0.071
CYP2d6-inh 0.028
CYP2d6-sub 0.722
CYP3a4-inh 0.602
CYP3a4-sub 0.324
Excretion
CL 13.541
T12 0.172
Toxicity
hERG 0.02
Ames 0.829
ROA 0.909
SkinSen 0.593
Carcinogencity 0.707
EI 0.043
Respiratory 0.976
NR-Aromatase 0.716
Antiviral Prediction
Antiviral Yes
Prediction 0.668047
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A database of all the medicinal plants having PAN India presence.
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