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PUBCHEM-ZINC04725589

 MMsINC code: MMs03163560
Type: Neutral
Formula: C11H20N2O2
SMILES:   O1CCCC1CNC(=O)C1CCNCC1
InChI:   InChI=1/C11H20N2O2/c14-11(9-3-5-12-6-4-9)13-8-10-2-1-7-15-10/h9-10,12H,1-8H2,(H,13,14)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=19.1694 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.293 g/mol  logS: -0.53393  SlogP: 0.2812  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0489871  Sterimol/B1: 2.52517  Sterimol/B2: 3.29579  Sterimol/B3: 3.87541
  Sterimol/B4: 4.0809  Sterimol/L: 14.326 
 
 Surface and Volume Properties
  Accessible surface: 447.394  Positive charged surface: 378.922  Negative charged surface: 68.4724  Volume: 217.75
  Hydrophobic surface: 371.13  Hydrophilic surface: 76.264
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03163561
PUBCHEM-ZINC04725589