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

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Chemoinformaics analysis of PHLOROGLUCINOL


Physiochemical Properties
Molecular Weight 126.111 nRot 0
Heavy Atom Molecular Weight 120.063 nRig 6
Exact Molecular Weight 126.032 nRing 1
Solubility: LogS -0.185 nHRing 0
Solubility: LogP 0.313 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 15 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 9 No. of Aromatic Carbocycles 1
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 6 No. of Saturated Hetero Cycles 0
No. of Carbon atom 6 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 6
No. of Oxygen atom 3 No. of Arom Bond 6
nHA 3 APOL 16.4268
nHD 3 BPOL 6.01924
Medicinal Chemistry Properties
QED 0.482
Synth 2.093
Natural Product Likeliness 0.771
NR-PPAR-gamma 0.002
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0.011
Pgp-sub 0.068
HIA 0.015
CACO-2 -4.791
Distribution
MDCK 0.00000951
BBB 0.043
PPB 0.507394
VDSS 0.862
Metabolism
FU 0.521682
CYP1A2-inh 0.626
CYP1A2-sub 0.269
CYP2c19-inh 0.075
CYP2c19-sub 0.055
CYP2c9-inh 0.052
CYP2c9-sub 0.924
CYP2d6-inh 0.369
CYP2d6-sub 0.674
CYP3a4-inh 0.542
CYP3a4-sub 0.094
Excretion
CL 14.917
T12 0.917
Toxicity
hERG 0.034
Ames 0.113
ROA 0.232
SkinSen 0.937
Carcinogencity 0.041
EI 0.932
Respiratory 0.279
NR-Aromatase 0.009
Antiviral Prediction
Antiviral No
Prediction 0.89746
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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