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PUBCHEM-ZINC02020644

 MMsINC code: MMs02855939
Type: Ionized
Formula: C10H18NO4-
SMILES:   O=C([O-])CC(C[NH2+]CC(CC(=O)[O-])C)C
InChI:   InChI=1/C10H19NO4/c1-7(3-9(12)13)5-11-6-8(2)4-10(14)15/h7-8,11H,3-6H2,1-2H3,(H,12,13)(H,14,15)/p-1/t7-,8+

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Potential Energy
Epot(MMFF94)=-0.282158 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.257 g/mol  logS: -0.41659  SlogP: -2.898  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0667239  Sterimol/B1: 2.10277  Sterimol/B2: 2.68884  Sterimol/B3: 3.81506
  Sterimol/B4: 4.80334  Sterimol/L: 15.78 
 
 Surface and Volume Properties
  Accessible surface: 447.593  Positive charged surface: 267.975  Negative charged surface: 179.617  Volume: 215.875
  Hydrophobic surface: 212.228  Hydrophilic surface: 235.365
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  Basic groups: 1
  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:


MMs02855938
PUBCHEM-ZINC02020644