General
Preferred name
MRS1042
Synonyms
P&D ID
PD051688
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
11
Properties
(calculated by RDKit )
Molecular Weight
396.19
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
0
Rotatable Bonds
10
Ring Count
3
Aromatic Ring Count
3
cLogP
5.83
TPSA
57.9
Fraction CSP3
0.38
Chiral centers
0.0
Largest ring
6.0
QED
0.43
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data