General
Preferred name
RUGULOSIN
Synonyms
P&D ID
PD075125
CAS
23537-16-8
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
DrugMatrix
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
6
Properties
(calculated by RDKit )
Molecular Weight
542.12
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
6
Rotatable Bonds
0
Ring Count
8
Aromatic Ring Count
2
cLogP
2.01
TPSA
189.66
Fraction CSP3
0.33
Chiral centers
8.0
Largest ring
6.0
QED
0.29
Structural alerts
1
keto_keto_gamma(5)
[#8]=[#6]-1-[#6;X4]-[#6]-[#6](=[#8])-c:2:c:c:c:c:c-1:2
PAINS Family C
Related compounds
Custom attributes
(extracted from source data)
Source data
