General
Preferred name
PD138965
Synonyms
P&D ID
PD138965
CAS
615-93-0
Tags
available
covalent binder
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
1
CovalentInDB
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
175.94
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
1
Aromatic Ring Count
0
cLogP
1.38
TPSA
34.14
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.52
Structural alerts
2
ene_one_hal(17)
[#6]-[#6]=[#6](-[F,Cl,Br,I])-[#6](=[#8])-[#6]
PAINS Family B
quinone_A(370)
[!#6&!#1]=[#6]-1-[#6]=,:[#6]-[#6](=[!#6&!#1])-[#6]=,:[#6]-1
PAINS Family A
Custom attributes
(extracted from source data)
Source data