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IBS-ZINC02402784

 MMsINC code: MMs01852493
Type: Neutral
Formula: C10H18N2O4
SMILES:   O1CCCC1CNC(=O)NC(C(OC)=O)C
InChI:   InChI=1/C10H18N2O4/c1-7(9(13)15-2)12-10(14)11-6-8-4-3-5-16-8/h7-8H,3-6H2,1-2H3,(H2,11,12,14)/t7-,8+/m0/s1

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Potential Energy
Epot(MMFF94)=13.9389 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.264 g/mol  logS: -1.03473  SlogP: 0.0261  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.037156  Sterimol/B1: 2.26525  Sterimol/B2: 2.61565  Sterimol/B3: 3.55377
  Sterimol/B4: 5.9197  Sterimol/L: 16.3867 
 
 Surface and Volume Properties
  Accessible surface: 481.418  Positive charged surface: 382.304  Negative charged surface: 99.1133  Volume: 223.5
  Hydrophobic surface: 354.752  Hydrophilic surface: 126.666
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.