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

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Chemoinformaics analysis of Gloriosine


Physiochemical Properties
Molecular Weight 385.416 nRot 6
Heavy Atom Molecular Weight 362.232 nRig 20
Exact Molecular Weight 385.153 nRing 3
Solubility: LogS -3.35 nHRing 0
Solubility: LogP 1.31 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 51 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 28 No. of Aromatic Carbocycles 2
nHetero 7 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 23 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 13
No. of Oxygen atom 6 No. of Arom Bond 13
nHA 6 APOL 56.3182
nHD 1 BPOL 32.3238
Medicinal Chemistry Properties
QED 0.77
Synth 3.124
Natural Product Likeliness 1.045
NR-PPAR-gamma 0.58
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.012
Pgp-sub 0.786
HIA 0.005
CACO-2 -4.674
Distribution
MDCK 0.0000182
BBB 0.949
PPB 0.694876
VDSS 1.236
Metabolism
FU 0.158103
CYP1A2-inh 0.118
CYP1A2-sub 0.95
CYP2c19-inh 0.577
CYP2c19-sub 0.887
CYP2c9-inh 0.143
CYP2c9-sub 0.83
CYP2d6-inh 0.14
CYP2d6-sub 0.864
CYP3a4-inh 0.554
CYP3a4-sub 0.867
Excretion
CL 1.979
T12 0.229
Toxicity
hERG 0.064
Ames 0.3
ROA 0.045
SkinSen 0.059
Carcinogencity 0.029
EI 0.009
Respiratory 0.212
NR-Aromatase 0.673
Antiviral Prediction
Antiviral Yes
Prediction 0.70276
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