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ENAMINE-ZINC03360636

 MMsINC code: MMs01395674
Type: Neutral
Formula: C15H27N3O2
SMILES:   O=C(NC(=O)NC1CCCCC1)CN1CCCCCC1
InChI:   InChI=1/C15H27N3O2/c19-14(12-18-10-6-1-2-7-11-18)17-15(20)16-13-8-4-3-5-9-13/h13H,1-12H2,(H2,16,17,19,20)

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Potential Energy
Epot(MMFF94)=40.6048 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.4 g/mol  logS: -2.31659  SlogP: 2.0209  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0397771  Sterimol/B1: 2.51819  Sterimol/B2: 2.80934  Sterimol/B3: 4.10693
  Sterimol/B4: 5.11712  Sterimol/L: 17.4033 
 
 Surface and Volume Properties
  Accessible surface: 553.936  Positive charged surface: 450.026  Negative charged surface: 103.911  Volume: 289
  Hydrophobic surface: 463.563  Hydrophilic surface: 90.373
 
 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


MMs01395675
ENAMINE-ZINC03360636