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AURORAFEINCHEMIE-ZINC02037878

 MMsINC code: MMs00449318
Type: Ionized
Formula: C7H12NO4-
SMILES:   O=C([O-])CCC[NH2+]CCC(=O)[O-]
InChI:   InChI=1/C7H13NO4/c9-6(10)2-1-4-8-5-3-7(11)12/h8H,1-5H2,(H,9,10)(H,11,12)/p-1

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Potential Energy
Epot(MMFF94)=-25.1528 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.176 g/mol  logS: 0.18872  SlogP: -3.7801  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0435152  Sterimol/B1: 2.38313  Sterimol/B2: 2.38316  Sterimol/B3: 3.07716
  Sterimol/B4: 3.62625  Sterimol/L: 14.4596 
 
 Surface and Volume Properties
  Accessible surface: 377.912  Positive charged surface: 228.796  Negative charged surface: 149.116  Volume: 160.5
  Hydrophobic surface: 153.62  Hydrophilic surface: 224.292
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  Basic groups: 1
  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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Parent related molecule:


MMs00449317
AURORAFEINCHEMIE-ZINC02037878