General
Preferred name
SCLEROTIORIN
Synonyms
P&D ID
PD020627
CAS
549-23-5
Tags
natural product
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
1
Cayman Chemical Bioactives
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
17
Properties
(calculated by RDKit )
Molecular Weight
390.12
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
0
Rotatable Bonds
5
Ring Count
2
Aromatic Ring Count
0
cLogP
4.3
TPSA
69.67
Fraction CSP3
0.38
Chiral centers
2.0
Largest ring
6.0
QED
0.4
Structural alerts
1
ene_one_hal(17)
[#6]-[#6]=[#6](-[F,Cl,Br,I])-[#6](=[#8])-[#6]
PAINS Family B
Related compounds
Custom attributes
(extracted from source data)
Source data
