General
Preferred name
PD043002
Synonyms
2-Adamantanone ()
P&D ID
PD043002
CAS
700-58-3
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 85
DESCRIPTION 2-Adamantanone is an inhibitor of M2 from influenza A virus. (Enamine Bioactive Compounds)
DESCRIPTION 2-Adamantanone is a bioactive chemical. (TargetMol Bioactive Compound Library)
Compound Sets
2
Enamine Bioactive Compounds
TargetMol Bioactive Compound Library
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
150.1
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
4
Aromatic Ring Count
0
cLogP
2.01
TPSA
17.07
Fraction CSP3
0.9
Chiral centers
0.0
Largest ring
6.0
QED
0.52
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data