General
Preferred name
BRD-K02492147
Synonyms
P&D ID
PD003572
Tags
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION product of diversity oriented synthesis (Informer Set)
Compound Sets
1
Informer Set
External IDs
6
Properties
(calculated by RDKit )
Molecular Weight
427.16
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
2
Rotatable Bonds
6
Ring Count
3
Aromatic Ring Count
1
cLogP
-0.05
TPSA
99.18
Fraction CSP3
0.53
Chiral centers
3.0
Largest ring
6.0
QED
0.62
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Compound status
GE-active
Source data