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

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Chemoinformaics analysis of Glaziovine


Physiochemical Properties
Molecular Weight 297.354 nRot 1
Heavy Atom Molecular Weight 278.202 nRig 21
Exact Molecular Weight 297.137 nRing 4
Solubility: LogS -1.5 nHRing 1
Solubility: LogP 1.634 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 1
Base Count 1 No. of Aliphatic Carbocycles Rings 2
Atoms Count 41 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 22 No. of Aromatic Carbocycles 1
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 19 No. of Saturated Hetero Cycles 0
No. of Carbon atom 18 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 6
No. of Oxygen atom 3 No. of Arom Bond 6
nHA 4 APOL 46.2351
nHD 1 BPOL 23.3749
Medicinal Chemistry Properties
QED 0.864
Synth 4.102
Natural Product Likeliness 1.909
NR-PPAR-gamma 0.361
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.003
Pgp-sub 0.076
HIA 0.007
CACO-2 -4.641
Distribution
MDCK 0.0000271
BBB 0.909
PPB 0.887816
VDSS 1.116
Metabolism
FU 0.0497182
CYP1A2-inh 0.06
CYP1A2-sub 0.528
CYP2c19-inh 0.144
CYP2c19-sub 0.829
CYP2c9-inh 0.055
CYP2c9-sub 0.585
CYP2d6-inh 0.338
CYP2d6-sub 0.624
CYP3a4-inh 0.021
CYP3a4-sub 0.852
Excretion
CL 6.701
T12 0.885
Toxicity
hERG 0.468
Ames 0.024
ROA 0.211
SkinSen 0.871
Carcinogencity 0.922
EI 0.011
Respiratory 0.969
NR-Aromatase 0.256
Antiviral Prediction
Antiviral Yes
Prediction 0.732967
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A database of all the medicinal plants having PAN India presence.
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