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PUBCHEM-ZINC05954709

 MMsINC code: MMs03458627
Type: Neutral
Formula: C10H18N2O3
SMILES:   OC(=O)C(NC(=O)N1CCCCC1C)C
InChI:   InChI=1/C10H18N2O3/c1-7-5-3-4-6-12(7)10(15)11-8(2)9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)/t7-,8+/m0/s1

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Potential Energy
Epot(MMFF94)=27.2102 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.265 g/mol  logS: -0.90275  SlogP: 1.0435  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10535  Sterimol/B1: 2.11213  Sterimol/B2: 2.67943  Sterimol/B3: 3.87755
  Sterimol/B4: 6.71219  Sterimol/L: 12.5877 
 
 Surface and Volume Properties
  Accessible surface: 426.727  Positive charged surface: 312.227  Negative charged surface: 114.501  Volume: 207.75
  Hydrophobic surface: 275.673  Hydrophilic surface: 151.054
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03458628
PUBCHEM-ZINC05954709