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

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Chemoinformaics analysis of CAPRIC ACID


Physiochemical Properties
Molecular Weight 172.268 nRot 8
Heavy Atom Molecular Weight 152.108 nRig 1
Exact Molecular Weight 172.146 nRing 0
Solubility: LogS -3.008 nHRing 0
Solubility: LogP 3.828 No. of Aliphatic Rings 0
Acid Count 1 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 32 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 12 No. of Aromatic Carbocycles 0
nHetero 2 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 20 No. of Saturated Hetero Cycles 0
No. of Carbon atom 10 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 2 No. of Arom Bond 0
nHA 1 APOL 31.6399
nHD 1 BPOL 20.9321
Medicinal Chemistry Properties
QED 0.571
Synth 1.533
Natural Product Likeliness 0.578
NR-PPAR-gamma 0.951
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0.043
Pgp-sub 0.001
HIA 0.005
CACO-2 -4.849
Distribution
MDCK 0.0000322
BBB 0.773
PPB 0.943709
VDSS 0.265
Metabolism
FU 0.0451
CYP1A2-inh 0.084
CYP1A2-sub 0.397
CYP2c19-inh 0.028
CYP2c19-sub 0.627
CYP2c9-inh 0.118
CYP2c9-sub 0.975
CYP2d6-inh 0.008
CYP2d6-sub 0.117
CYP3a4-inh 0.008
CYP3a4-sub 0.036
Excretion
CL 2.688
T12 0.795
Toxicity
hERG 0.02
Ames 0.006
ROA 0.071
SkinSen 0.453
Carcinogencity 0.122
EI 0.988
Respiratory 0.527
NR-Aromatase 0.016
Antiviral Prediction
Antiviral No
Prediction 0.920474
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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