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ENAMINE-ZINC06508723

 MMsINC code: MMs01665125
Type: Neutral
Formula: C17H30N2O2
SMILES:   O=C(NCCCNC(=O)CC1CCCC1)CC1CCCC1
InChI:   InChI=1/C17H30N2O2/c20-16(12-14-6-1-2-7-14)18-10-5-11-19-17(21)13-15-8-3-4-9-15/h14-15H,1-13H2,(H,18,20)(H,19,21)

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Potential Energy
Epot(MMFF94)=22.2376 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.439 g/mol  logS: -4.47339  SlogP: 2.7695  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0219733  Sterimol/B1: 2.49576  Sterimol/B2: 2.50952  Sterimol/B3: 4.07348
  Sterimol/B4: 4.31839  Sterimol/L: 21.594 
 
 Surface and Volume Properties
  Accessible surface: 622.949  Positive charged surface: 510.255  Negative charged surface: 112.694  Volume: 314.5
  Hydrophobic surface: 539.603  Hydrophilic surface: 83.346
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.