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PUBCHEM-ZINC06264828

 MMsINC code: MMs03646578
Type: Ionized
Formula: C13H25N2O3-
SMILES:   O=C([O-])C(NC(=O)N(CCC)CCC)C(CC)C
InChI:   InChI=1/C13H26N2O3/c1-5-8-15(9-6-2)13(18)14-11(12(16)17)10(4)7-3/h10-11H,5-9H2,1-4H3,(H,14,18)(H,16,17)/p-1/t10-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=3.70848 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.354 g/mol  logS: -2.05856  SlogP: 0.9826  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137429  Sterimol/B1: 2.29375  Sterimol/B2: 3.51215  Sterimol/B3: 3.63932
  Sterimol/B4: 8.96141  Sterimol/L: 12.4445 
 
 Surface and Volume Properties
  Accessible surface: 519.442  Positive charged surface: 352.479  Negative charged surface: 166.963  Volume: 274
  Hydrophobic surface: 344.053  Hydrophilic surface: 175.389
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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:


MMs03646577
PUBCHEM-ZINC06264828