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

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Chemoinformaics analysis of NARINGETOL


Physiochemical Properties
Molecular Weight 272.256 nRot 1
Heavy Atom Molecular Weight 260.16 nRig 18
Exact Molecular Weight 272.068 nRing 3
Solubility: LogS -3.876 nHRing 1
Solubility: LogP 2.562 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 32 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 20 No. of Aromatic Carbocycles 2
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 12 No. of Saturated Hetero Cycles 0
No. of Carbon atom 15 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 5 No. of Arom Bond 12
nHA 5 APOL 37.0615
nHD 3 BPOL 14.6425
Medicinal Chemistry Properties
QED 0.742
Synth 2.825
Natural Product Likeliness 1.76
NR-PPAR-gamma 0.881
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.007
Pgp-sub 0.001
HIA 0.018
CACO-2 -4.803
Distribution
MDCK 0.00000723
BBB 0.042
PPB 0.937635
VDSS 0.502
Metabolism
FU 0.0565354
CYP1A2-inh 0.917
CYP1A2-sub 0.177
CYP2c19-inh 0.793
CYP2c19-sub 0.059
CYP2c9-inh 0.823
CYP2c9-sub 0.955
CYP2d6-inh 0.745
CYP2d6-sub 0.744
CYP3a4-inh 0.855
CYP3a4-sub 0.154
Excretion
CL 17.388
T12 0.774
Toxicity
hERG 0.044
Ames 0.342
ROA 0.694
SkinSen 0.925
Carcinogencity 0.576
EI 0.942
Respiratory 0.34
NR-Aromatase 0.063
Antiviral Prediction
Antiviral Yes
Prediction 0.644254
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A database of all the medicinal plants having PAN India presence.
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