General
Preferred name
demoxytocin
Synonyms
P&D ID
PD122323
CAS
113-78-0
Tags
drug candidate
Drug Status
experimental
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
DrugBank
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
11
Properties
(calculated by RDKit )
Molecular Weight
991.43
Hydrogen Bond Acceptors
14
Hydrogen Bond Donors
11
Rotatable Bonds
17
Ring Count
3
Aromatic Ring Count
1
cLogP
-2.55
TPSA
373.51
Fraction CSP3
0.6
Chiral centers
8.0
Largest ring
20.0
QED
0.07
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
