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PUBCHEM-ZINC05375986

 MMsINC code: MMs03250395
Type: Ionized
Formula: C10H17N2O4-
SMILES:   OC1CCCCC1NCC(=O)NCC(=O)[O-]
InChI:   InChI=1/C10H18N2O4/c13-8-4-2-1-3-7(8)11-5-9(14)12-6-10(15)16/h7-8,11,13H,1-6H2,(H,12,14)(H,15,16)/p-1/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=41.1045 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.256 g/mol  logS: -0.53972  SlogP: -2.2544  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.042081  Sterimol/B1: 2.49305  Sterimol/B2: 2.96911  Sterimol/B3: 3.1366
  Sterimol/B4: 6.04892  Sterimol/L: 15.4192 
 
 Surface and Volume Properties
  Accessible surface: 455.101  Positive charged surface: 312.051  Negative charged surface: 143.05  Volume: 215.375
  Hydrophobic surface: 257.966  Hydrophilic surface: 197.135
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 2  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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Parent related molecule:


MMs03250394
PUBCHEM-ZINC05375986