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CHEMBRIDGE-ZINC00444645

 MMsINC code: MMs00617135
Type: Neutral
Formula: C12H22N2O2
SMILES:   O=C(NC1CCC(NC(=O)CC)CC1)CC
InChI:   InChI=1/C12H22N2O2/c1-3-11(15)13-9-5-7-10(8-6-9)14-12(16)4-2/h9-10H,3-8H2,1-2H3,(H,13,15)(H,14,16)/t9-,10-

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Potential Energy
Epot(MMFF94)=7.43495 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.32 g/mol  logS: -1.30986  SlogP: 1.35  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0468312  Sterimol/B1: 2.50886  Sterimol/B2: 2.56057  Sterimol/B3: 3.3549
  Sterimol/B4: 5.12151  Sterimol/L: 17.2098 
 
 Surface and Volume Properties
  Accessible surface: 490.392  Positive charged surface: 374.39  Negative charged surface: 116.002  Volume: 239.25
  Hydrophobic surface: 364.424  Hydrophilic surface: 125.968
 
 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.