General
Preferred name
S-Indenestrol A
Synonyms
P&D ID
PD015608
CAS
24643-97-8
115217-02-2
Tags
natural product
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
1
NURSA ligand set
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
13
Properties
(calculated by RDKit )
Molecular Weight
266.13
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
3
Aromatic Ring Count
2
cLogP
4.54
TPSA
40.46
Fraction CSP3
0.22
Chiral centers
1.0
Largest ring
6.0
QED
0.84
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
