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

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Chemoinformaics analysis of  (+)-Sparteine


Physiochemical Properties
Molecular Weight 234.387 nRot 0
Heavy Atom Molecular Weight 208.179 nRig 20
Exact Molecular Weight 234.21 nRing 4
Solubility: LogS -1.819 nHRing 4
Solubility: LogP 2.423 No. of Aliphatic Rings 4
Acid Count 0 No. of Aromatic Rings 0
Base Count 2 No. of Aliphatic Carbocycles Rings 0
Atoms Count 43 No. of Aliphatic Hetero Cycles 4
No. of Heavy Atom 17 No. of Aromatic Carbocycles 0
nHetero 2 No. of Aromatic Hetero Cycles 0
nBridge Head 2 No. Saturated Carbocycles 0
No. of Hydrogen atom 26 No. of Saturated Hetero Cycles 4
No. of Carbon atom 15 No. of Saturated Rings 4
No. of Nitrogen atom 2 No. of Arom Atom 0
No. of Oxygen atom 0 No. of Arom Bond 0
nHA 2 APOL 44.5866
nHD 0 BPOL 29.5034
Medicinal Chemistry Properties
QED 0.635
Synth 4.281
Natural Product Likeliness 0.613
NR-PPAR-gamma 0.002
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.091
Pgp-sub 0.006
HIA 0.011
CACO-2 -4.704
Distribution
MDCK 0.00000874
BBB 0.927
PPB 0.20425
VDSS 4.22
Metabolism
FU 0.707793
CYP1A2-inh 0.011
CYP1A2-sub 0.125
CYP2c19-inh 0.017
CYP2c19-sub 0.943
CYP2c9-inh 0
CYP2c9-sub 0.02
CYP2d6-inh 0.963
CYP2d6-sub 0.912
CYP3a4-inh 0
CYP3a4-sub 0.798
Excretion
CL 18.559
T12 0.306
Toxicity
hERG 0.083
Ames 0.045
ROA 0.573
SkinSen 0.931
Carcinogencity 0.258
EI 0.547
Respiratory 0.971
NR-Aromatase 0.004
Antiviral Prediction
Antiviral Yes
Prediction 0.804035
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A database of all the medicinal plants having PAN India presence.
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