General
Preferred name
Dehydrocyclopeptine
Synonyms
P&D ID
PD076428
CAS
31965-37-4
Tags
natural product
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
1
Cayman Chemical Bioactives
External IDs
7
Properties
(calculated by RDKit )
Molecular Weight
278.11
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
2
cLogP
2.75
TPSA
49.41
Fraction CSP3
0.06
Chiral centers
0.0
Largest ring
7.0
QED
0.82
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data