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PUBCHEM-ZINC01344786

 MMsINC code: MMs02798177
Type: Neutral
Formula: C18H31N3O3
SMILES:   O1CCN(CC1)C(=O)C1(NC(=O)NC2CCCCC2)CCCCC1
InChI:   InChI=1/C18H31N3O3/c22-16(21-11-13-24-14-12-21)18(9-5-2-6-10-18)20-17(23)19-15-7-3-1-4-8-15/h15H,1-14H2,(H2,19,20,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.3354 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.464 g/mol  logS: -2.90467  SlogP: 2.18  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.136657  Sterimol/B1: 4.08368  Sterimol/B2: 4.21157  Sterimol/B3: 5.90681
  Sterimol/B4: 6.35233  Sterimol/L: 13.6565 
 
 Surface and Volume Properties
  Accessible surface: 575.727  Positive charged surface: 463.399  Negative charged surface: 112.329  Volume: 335.75
  Hydrophobic surface: 510.734  Hydrophilic surface: 64.993
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.