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

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Chemoinformaics analysis of Oxoglaucine


Physiochemical Properties
Molecular Weight 351.358 nRot 4
Heavy Atom Molecular Weight 334.222 nRig 21
Exact Molecular Weight 351.111 nRing 4
Solubility: LogS -5.487 nHRing 1
Solubility: LogP 3.13 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 43 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 26 No. of Aromatic Carbocycles 2
nHetero 6 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 17 No. of Saturated Hetero Cycles 0
No. of Carbon atom 20 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 16
No. of Oxygen atom 5 No. of Arom Bond 17
nHA 6 APOL 49.8455
nHD 0 BPOL 26.0065
Medicinal Chemistry Properties
QED 0.561
Synth 2.468
Natural Product Likeliness 0.926
NR-PPAR-gamma 0.189
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.612
Pgp-sub 0.002
HIA 0.004
CACO-2 -4.85
Distribution
MDCK 0.0000364
BBB 0.102
PPB 0.792088
VDSS 0.879
Metabolism
FU 0.121686
CYP1A2-inh 0.42
CYP1A2-sub 0.98
CYP2c19-inh 0.397
CYP2c19-sub 0.85
CYP2c9-inh 0.46
CYP2c9-sub 0.892
CYP2d6-inh 0.008
CYP2d6-sub 0.896
CYP3a4-inh 0.592
CYP3a4-sub 0.688
Excretion
CL 6.99
T12 0.418
Toxicity
hERG 0.057
Ames 0.605
ROA 0.307
SkinSen 0.032
Carcinogencity 0.092
EI 0.032
Respiratory 0.884
NR-Aromatase 0.835
Antiviral Prediction
Antiviral Yes
Prediction 0.709093
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A database of all the medicinal plants having PAN India presence.
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