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PUBCHEM-ZINC06777828

 MMsINC code: MMs03858197
Type: Ionized
Formula: C14H23N2O4-
SMILES:   O(C(CC)CC)C1C=C(CC(N)C1NC(=O)C)C(=O)[O-]
InChI:   InChI=1/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/p-1/t11-,12-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=31.979 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.348 g/mol  logS: -1.46489  SlogP: -0.5278  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.477241  Sterimol/B1: 2.89747  Sterimol/B2: 4.53088  Sterimol/B3: 6.28848
  Sterimol/B4: 6.52792  Sterimol/L: 10.675 
 
 Surface and Volume Properties
  Accessible surface: 524.358  Positive charged surface: 344.799  Negative charged surface: 179.559  Volume: 281.625
  Hydrophobic surface: 302.256  Hydrophilic surface: 222.102
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 2  Basic groups: 0
  Chiral centers: 3
 
 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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MMs03858196
PUBCHEM-ZINC06777828