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PUBCHEM-ZINC03165972

 MMsINC code: MMs03004226
Type: Ionized
Formula: C13H23N2O5-
SMILES:   O(C(C)(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)[O-]
InChI:   InChI=1/C13H24N2O5/c1-8(2)6-9(11(18)14-7-10(16)17)15-12(19)20-13(3,4)5/h8-9H,6-7H2,1-5H3,(H,14,18)(H,15,19)(H,16,17)/p-1/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=22.8102 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.336 g/mol  logS: -2.80984  SlogP: -0.2081  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10895  Sterimol/B1: 2.26727  Sterimol/B2: 3.03097  Sterimol/B3: 4.0937
  Sterimol/B4: 7.80896  Sterimol/L: 15.8033 
 
 Surface and Volume Properties
  Accessible surface: 550.018  Positive charged surface: 356.292  Negative charged surface: 193.725  Volume: 283.5
  Hydrophobic surface: 306.144  Hydrophilic surface: 243.874
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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:


MMs03004225
PUBCHEM-ZINC03165972