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

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Chemoinformaics analysis of ARJUNOLIC-ACID


Physiochemical Properties
Molecular Weight 234.339 nRot 2
Heavy Atom Molecular Weight 212.163 nRig 13
Exact Molecular Weight 234.162 nRing 2
Solubility: LogS -3.089 nHRing 0
Solubility: LogP 3.562 No. of Aliphatic Rings 2
Acid Count 1 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 2
Atoms Count 39 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 17 No. of Aromatic Carbocycles 0
nHetero 2 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 1
No. of Hydrogen atom 22 No. of Saturated Hetero Cycles 0
No. of Carbon atom 15 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 2 No. of Arom Bond 0
nHA 1 APOL 41.3234
nHD 1 BPOL 22.9386
Medicinal Chemistry Properties
QED 0.585
Synth 4.255
Natural Product Likeliness 2.744
NR-PPAR-gamma 0.005
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0
Pgp-sub 0
HIA 0.185
CACO-2 -4.563
Distribution
MDCK 0.00000786
BBB 0.237
PPB 0.969881
VDSS 0.483
Metabolism
FU 0.0236646
CYP1A2-inh 0.228
CYP1A2-sub 0.638
CYP2c19-inh 0.024
CYP2c19-sub 0.516
CYP2c9-inh 0.363
CYP2c9-sub 0.473
CYP2d6-inh 0.005
CYP2d6-sub 0.214
CYP3a4-inh 0.029
CYP3a4-sub 0.234
Excretion
CL 2.741
T12 0.193
Toxicity
hERG 0.02
Ames 0.012
ROA 0.834
SkinSen 0.154
Carcinogencity 0.519
EI 0.078
Respiratory 0.96
NR-Aromatase 0.005
Antiviral Prediction
Antiviral Yes
Prediction 0.919511
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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