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

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Chemoinformaics analysis of HIBISCUS-ACID


Physiochemical Properties
Molecular Weight 190.107 nRot 2
Heavy Atom Molecular Weight 184.059 nRig 8
Exact Molecular Weight 190.011 nRing 1
Solubility: LogS -0.464 nHRing 1
Solubility: LogP -0.361 No. of Aliphatic Rings 1
Acid Count 2 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 19 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 13 No. of Aromatic Carbocycles 0
nHetero 7 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 6 No. of Saturated Hetero Cycles 1
No. of Carbon atom 6 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 7 No. of Arom Bond 0
nHA 5 APOL 19.6348
nHD 3 BPOL 10.3592
Medicinal Chemistry Properties
QED 0.439
Synth 3.919
Natural Product Likeliness 1.906
NR-PPAR-gamma 0.047
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.025
HIA 0.055
CACO-2 -6.105
Distribution
MDCK 0.0020509
BBB 0.317
PPB 0.13659
VDSS 0.24
Metabolism
FU 0.7414
CYP1A2-inh 0.003
CYP1A2-sub 0.069
CYP2c19-inh 0.019
CYP2c19-sub 0.042
CYP2c9-inh 0.002
CYP2c9-sub 0.396
CYP2d6-inh 0.012
CYP2d6-sub 0.097
CYP3a4-inh 0.018
CYP3a4-sub 0.007
Excretion
CL 2.063
T12 0.883
Toxicity
hERG 0.009
Ames 0.026
ROA 0.026
SkinSen 0.283
Carcinogencity 0.009
EI 0.806
Respiratory 0.03
NR-Aromatase 0.005
Antiviral Prediction
Antiviral No
Prediction 0.857582
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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