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NCID-ZINC01754791

 MMsINC code: MMs02364056
Type: Neutral
Formula: C14H23N3O3
SMILES:   O1CCN(CC1)CN1C(=O)C2(NC1=O)CCCCCC2
InChI:   InChI=1/C14H23N3O3/c18-12-14(5-3-1-2-4-6-14)15-13(19)17(12)11-16-7-9-20-10-8-16/h1-11H2,(H,15,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.2152 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.356 g/mol  logS: -1.91572  SlogP: 0.9209  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11624  Sterimol/B1: 3.28358  Sterimol/B2: 3.89489  Sterimol/B3: 4.32039
  Sterimol/B4: 4.6969  Sterimol/L: 14.409 
 
 Surface and Volume Properties
  Accessible surface: 490.987  Positive charged surface: 386.432  Negative charged surface: 104.556  Volume: 271.5
  Hydrophobic surface: 392.792  Hydrophilic surface: 98.195
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.