General
Preferred name
Secologanoside
Synonyms
P&D ID
PD125064
CAS
59472-23-0
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 253
DESCRIPTION Secologanoside shows anti-complementary, allelopathic, and anti-elastase activities. (TargetMol Bioactive Compound Library)
Compound Sets
3
MedChem Express Bioactive Compound Library
HY-N6876
Selleckchem Bioactive Compound Library
secologanoside
TargetMol Bioactive Compound Library
TN1022
External IDs
9
Properties
(calculated by RDKit )
Molecular Weight
390.12
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
6
Rotatable Bonds
7
Ring Count
2
Aromatic Ring Count
0
cLogP
-1.98
TPSA
183.21
Fraction CSP3
0.62
Chiral centers
8.0
Largest ring
6.0
QED
0.26
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Elastase
Serine Protease
Pathway
Metabolic Enzyme/Protease
Proteases/Proteasome
Source data