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PEAKDALE-ZINC01498896

 MMsINC code: MMs02611115
Type: Ionized
Formula: C14H22NO4-
SMILES:   O1CCCC1CNC(=O)CC1(CCCC1)CC(=O)[O-]
InChI:   InChI=1/C14H23NO4/c16-12(15-10-11-4-3-7-19-11)8-14(9-13(17)18)5-1-2-6-14/h11H,1-10H2,(H,15,16)(H,17,18)/p-1/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=22.4277 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.333 g/mol  logS: -2.63887  SlogP: 0.3721  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0811444  Sterimol/B1: 2.56592  Sterimol/B2: 3.30283  Sterimol/B3: 4.01167
  Sterimol/B4: 5.7481  Sterimol/L: 15.0385 
 
 Surface and Volume Properties
  Accessible surface: 492.903  Positive charged surface: 354.825  Negative charged surface: 138.078  Volume: 262.375
  Hydrophobic surface: 383.901  Hydrophilic surface: 109.002
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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:


MMs02611114
PEAKDALE-ZINC01498896