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

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Chemoinformaics analysis of LUCIDENIC-ACID-K


Physiochemical Properties
Molecular Weight 472.578 nRot 4
Heavy Atom Molecular Weight 436.29 nRig 26
Exact Molecular Weight 472.246 nRing 4
Solubility: LogS -4.26 nHRing 0
Solubility: LogP 2.025 No. of Aliphatic Rings 4
Acid Count 1 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 4
Atoms Count 70 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 34 No. of Aromatic Carbocycles 0
nHetero 7 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 2
No. of Hydrogen atom 36 No. of Saturated Hetero Cycles 0
No. of Carbon atom 27 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 7 No. of Arom Bond 0
nHA 6 APOL 74.7085
nHD 2 BPOL 40.4555
Medicinal Chemistry Properties
QED 0.622
Synth 4.983
Natural Product Likeliness 2.241
NR-PPAR-gamma 0.485
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.409
Pgp-sub 0.001
HIA 0.026
CACO-2 -5.428
Distribution
MDCK 0.0000253
BBB 0.264
PPB 0.782276
VDSS 0.364
Metabolism
FU 0.145667
CYP1A2-inh 0.002
CYP1A2-sub 0.606
CYP2c19-inh 0.012
CYP2c19-sub 0.916
CYP2c9-inh 0.024
CYP2c9-sub 0.978
CYP2d6-inh 0.001
CYP2d6-sub 0.188
CYP3a4-inh 0.029
CYP3a4-sub 0.201
Excretion
CL 13.67
T12 0.599
Toxicity
hERG 0
Ames 0.011
ROA 0.689
SkinSen 0.019
Carcinogencity 0.077
EI 0.023
Respiratory 0.434
NR-Aromatase 0.046
Antiviral Prediction
Antiviral Yes
Prediction 0.776107
OSADHI

A database of all the medicinal plants having PAN India presence.
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