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PUBCHEM-ZINC06201139

 MMsINC code: MMs03608644
Type: Neutral
Formula: C10H18N2O3
SMILES:   OC(=O)C(NC(=O)N1CCCC1)C(C)C
InChI:   InChI=1/C10H18N2O3/c1-7(2)8(9(13)14)11-10(15)12-5-3-4-6-12/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=15.826 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.265 g/mol  logS: -0.77731  SlogP: 0.901  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.098021  Sterimol/B1: 2.25741  Sterimol/B2: 3.17014  Sterimol/B3: 3.60055
  Sterimol/B4: 6.41301  Sterimol/L: 12.963 
 
 Surface and Volume Properties
  Accessible surface: 438.608  Positive charged surface: 320.759  Negative charged surface: 117.849  Volume: 208.625
  Hydrophobic surface: 288.08  Hydrophilic surface: 150.528
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03608645
PUBCHEM-ZINC06201139