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

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Chemoinformaics analysis of CICHORIC-ACID


Physiochemical Properties
Molecular Weight 318.457 nRot 1
Heavy Atom Molecular Weight 288.217 nRig 21
Exact Molecular Weight 318.219 nRing 6
Solubility: LogS -4.005 nHRing 0
Solubility: LogP 2.939 No. of Aliphatic Rings 6
Acid Count 1 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 6
Atoms Count 53 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 23 No. of Aromatic Carbocycles 0
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 4 No. Saturated Carbocycles 6
No. of Hydrogen atom 30 No. of Saturated Hetero Cycles 0
No. of Carbon atom 20 No. of Saturated Rings 6
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 3 No. of Arom Bond 0
nHA 2 APOL 55.8098
nHD 2 BPOL 30.9642
Medicinal Chemistry Properties
QED 0.775
Synth 6.284
Natural Product Likeliness 3.334
NR-PPAR-gamma 0.795
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.007
Pgp-sub 0
HIA 0.01
CACO-2 -5.248
Distribution
MDCK 0.0000309
BBB 0.846
PPB 0.883883
VDSS 0.662
Metabolism
FU 0.124788
CYP1A2-inh 0.01
CYP1A2-sub 0.516
CYP2c19-inh 0.01
CYP2c19-sub 0.882
CYP2c9-inh 0.078
CYP2c9-sub 0.235
CYP2d6-inh 0.004
CYP2d6-sub 0.204
CYP3a4-inh 0.143
CYP3a4-sub 0.093
Excretion
CL 2.928
T12 0.175
Toxicity
hERG 0.007
Ames 0.019
ROA 0.099
SkinSen 0.033
Carcinogencity 0.046
EI 0.241
Respiratory 0.917
NR-Aromatase 0.033
Antiviral Prediction
Antiviral No
Prediction 0.706113
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

Our Other Tools

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  • Aromatic–Aromatic Interactions Database (A2ID)
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