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PUBCHEM-ZINC05456113

 MMsINC code: MMs03274729
Type: Ionized
Formula: C14H20NO4-
SMILES:   O1C2CCC1C(C(=O)[O-])C2C(=O)NC1CCCCC1
InChI:   InChI=1/C14H21NO4/c16-13(15-8-4-2-1-3-5-8)11-9-6-7-10(19-9)12(11)14(17)18/h8-12H,1-7H2,(H,15,16)(H,17,18)/p-1/t9-,10+,11-,12+/m0/s1

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Potential Energy
Epot(MMFF94)=15.4124 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.317 g/mol  logS: -1.84736  SlogP: -0.0212  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0647629  Sterimol/B1: 2.8733  Sterimol/B2: 3.54601  Sterimol/B3: 3.62838
  Sterimol/B4: 4.97649  Sterimol/L: 14.494 
 
 Surface and Volume Properties
  Accessible surface: 474.112  Positive charged surface: 339.132  Negative charged surface: 134.981  Volume: 250.375
  Hydrophobic surface: 360.854  Hydrophilic surface: 113.258
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 4
 
 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:


MMs03274728
PUBCHEM-ZINC05456113