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PUBCHEM-ZINC05456208

 MMsINC code: MMs03274776
Type: Neutral
Formula: C13H20N2O2
SMILES:   O=C1N(C2C3N(CCC2)CCCC3)C(=O)CC1
InChI:   InChI=1/C13H20N2O2/c16-12-6-7-13(17)15(12)11-5-3-9-14-8-2-1-4-10(11)14/h10-11H,1-9H2/t10-,11-/m1/s1

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Potential Energy
Epot(MMFF94)=89.7997 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.315 g/mol  logS: -1.16153  SlogP: 1.1523  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.300564  Sterimol/B1: 2.75868  Sterimol/B2: 2.89475  Sterimol/B3: 4.54995
  Sterimol/B4: 6.39966  Sterimol/L: 10.9061 
 
 Surface and Volume Properties
  Accessible surface: 418.6  Positive charged surface: 327.2  Negative charged surface: 91.3996  Volume: 230.75
  Hydrophobic surface: 379.159  Hydrophilic surface: 39.441
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03274777
PUBCHEM-ZINC05456208