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

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Chemoinformaics analysis of LEUCOPHLEOXOL


Physiochemical Properties
Molecular Weight 320.473 nRot 1
Heavy Atom Molecular Weight 288.217 nRig 19
Exact Molecular Weight 320.235 nRing 4
Solubility: LogS -4.065 nHRing 1
Solubility: LogP 3.352 No. of Aliphatic Rings 4
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 3
Atoms Count 55 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 23 No. of Aromatic Carbocycles 0
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 2
No. of Hydrogen atom 32 No. of Saturated Hetero Cycles 1
No. of Carbon atom 20 No. of Saturated Rings 3
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 3 No. of Arom Bond 0
nHA 3 APOL 57.1434
nHD 2 BPOL 33.8386
Medicinal Chemistry Properties
QED 0.576
Synth 5.021
Natural Product Likeliness 3.332
NR-PPAR-gamma 0.344
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.346
Pgp-sub 0.025
HIA 0.009
CACO-2 -4.756
Distribution
MDCK 0.0000242
BBB 0.874
PPB 0.790873
VDSS 1.858
Metabolism
FU 0.264684
CYP1A2-inh 0.013
CYP1A2-sub 0.24
CYP2c19-inh 0.018
CYP2c19-sub 0.857
CYP2c9-inh 0.075
CYP2c9-sub 0.211
CYP2d6-inh 0.003
CYP2d6-sub 0.527
CYP3a4-inh 0.136
CYP3a4-sub 0.228
Excretion
CL 11.758
T12 0.053
Toxicity
hERG 0.005
Ames 0.041
ROA 0.293
SkinSen 0.044
Carcinogencity 0.041
EI 0.014
Respiratory 0.88
NR-Aromatase 0.866
Antiviral Prediction
Antiviral Yes
Prediction 0.549047
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A database of all the medicinal plants having PAN India presence.
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