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

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Chemoinformaics analysis of GLAUCINE


Physiochemical Properties
Molecular Weight 355.434 nRot 4
Heavy Atom Molecular Weight 330.234 nRig 20
Exact Molecular Weight 355.178 nRing 4
Solubility: LogS -2.75 nHRing 1
Solubility: LogP 2.686 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 2
Base Count 1 No. of Aliphatic Carbocycles Rings 1
Atoms Count 51 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 26 No. of Aromatic Carbocycles 2
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 25 No. of Saturated Hetero Cycles 0
No. of Carbon atom 21 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 12
No. of Oxygen atom 4 No. of Arom Bond 12
nHA 5 APOL 56.0478
nHD 0 BPOL 33.7342
Medicinal Chemistry Properties
QED 0.84
Synth 2.929
Natural Product Likeliness 1.176
NR-PPAR-gamma 0.007
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.752
Pgp-sub 0.923
HIA 0.003
CACO-2 -4.771
Distribution
MDCK 0.0000261
BBB 0.974
PPB 0.707246
VDSS 1.74
Metabolism
FU 0.169129
CYP1A2-inh 0.112
CYP1A2-sub 0.98
CYP2c19-inh 0.054
CYP2c19-sub 0.957
CYP2c9-inh 0.008
CYP2c9-sub 0.787
CYP2d6-inh 0.075
CYP2d6-sub 0.94
CYP3a4-inh 0.054
CYP3a4-sub 0.931
Excretion
CL 8.541
T12 0.478
Toxicity
hERG 0.684
Ames 0.185
ROA 0.653
SkinSen 0.135
Carcinogencity 0.027
EI 0.009
Respiratory 0.933
NR-Aromatase 0.627
Antiviral Prediction
Antiviral Yes
Prediction 0.670778
OSADHI

A database of all the medicinal plants having PAN India presence.
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