General
Preferred name
ACETYLANDROMEDOL
Synonyms
P&D ID
PD074859
CAS
4720-09-6
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
DrugMatrix
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
6
Properties
(calculated by RDKit )
Molecular Weight
412.25
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
5
Rotatable Bonds
1
Ring Count
4
Aromatic Ring Count
0
cLogP
0.74
TPSA
127.45
Fraction CSP3
0.95
Chiral centers
10.0
Largest ring
7.0
QED
0.4
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
