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PUBCHEM-ZINC06758521

 MMsINC code: MMs03853852
Type: Neutral
Formula: C10H20N2O3
SMILES:   O1CCN(CC1)CCNC(=O)COCC
InChI:   InChI=1/C10H20N2O3/c1-2-14-9-10(13)11-3-4-12-5-7-15-8-6-12/h2-9H2,1H3,(H,11,13)

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Potential Energy
Epot(MMFF94)=57.5119 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.281 g/mol  logS: -0.42233  SlogP: -0.5287  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0301638  Sterimol/B1: 2.7682  Sterimol/B2: 3.2703  Sterimol/B3: 3.41073
  Sterimol/B4: 4.2568  Sterimol/L: 16.8341 
 
 Surface and Volume Properties
  Accessible surface: 477.473  Positive charged surface: 404.396  Negative charged surface: 73.0771  Volume: 221.75
  Hydrophobic surface: 377.835  Hydrophilic surface: 99.638
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs03853853
PUBCHEM-ZINC06758521