General
Preferred name
PMID18800762C16
Synonyms
compound 16 [PMID: 18800762] ()
P&D ID
PD050246
Tags
drug candidate
Drug indication
Discovery agent
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
2
DrugMAP
Guide to Pharmacology
External IDs
8
Properties
(calculated by RDKit )
Molecular Weight
387.19
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
4
Rotatable Bonds
15
Ring Count
0
Aromatic Ring Count
0
cLogP
3.52
TPSA
118.3
Fraction CSP3
1.0
Chiral centers
0.0
Largest ring
0.0
QED
0.25
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data