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

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Chemoinformaics analysis of Magnoflorine


Physiochemical Properties
Molecular Weight 342.415 nRot 2
Heavy Atom Molecular Weight 318.223 nRig 20
Exact Molecular Weight 342.17 nRing 4
Solubility: LogS 0.21 nHRing 1
Solubility: LogP 0.395 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 2
Base Count 1 No. of Aliphatic Carbocycles Rings 1
Atoms Count 49 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 25 No. of Aromatic Carbocycles 2
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 24 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 12
No. of Oxygen atom 4 No. of Arom Bond 12
nHA 4 APOL 53.711
nHD 2 BPOL 29.829
Medicinal Chemistry Properties
QED 0.824
Synth 3.545
Natural Product Likeliness 1.934
NR-PPAR-gamma 0.033
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.001
Pgp-sub 0.98
HIA 0.954
CACO-2 -5.846
Distribution
MDCK 0.00000489
BBB 0.147
PPB 0.468882
VDSS 2.084
Metabolism
FU 0.349862
CYP1A2-inh 0.074
CYP1A2-sub 0.961
CYP2c19-inh 0.017
CYP2c19-sub 0.157
CYP2c9-inh 0.001
CYP2c9-sub 0.389
CYP2d6-inh 0.01
CYP2d6-sub 0.932
CYP3a4-inh 0.046
CYP3a4-sub 0.612
Excretion
CL 3.18
T12 0.896
Toxicity
hERG 0.109
Ames 0.162
ROA 0.254
SkinSen 0.176
Carcinogencity 0.021
EI 0.013
Respiratory 0.383
NR-Aromatase 0.016
Antiviral Prediction
Antiviral Yes
Prediction 0.655867
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A database of all the medicinal plants having PAN India presence.
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