General
Preferred name
DECOMINOL
Synonyms
Decominolum ()
P&D ID
PD014657
CAS
60812-23-9
60812-35-3
Tags
drug candidate
Drug Status
investigational
Max Phase
2.0
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
2
ChEMBL Drugs
NPC Screening Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
12
Properties
(calculated by RDKit )
Molecular Weight
231.22
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
12
Ring Count
0
Aromatic Ring Count
0
cLogP
2.46
TPSA
55.48
Fraction CSP3
1.0
Chiral centers
1.0
Largest ring
0.0
QED
0.51
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
