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PEAKDALE-ZINC01739636

 MMsINC code: MMs02614647
Type: Neutral
Formula: C13H23NO4
SMILES:   O(CCCNC(=O)CC1(CCCC1)CC(O)=O)C
InChI:   InChI=1/C13H23NO4/c1-18-8-4-7-14-11(15)9-13(10-12(16)17)5-2-3-6-13/h2-10H2,1H3,(H,14,15)(H,16,17)

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Potential Energy
Epot(MMFF94)=41.3905 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.33 g/mol  logS: -2.02781  SlogP: 1.5643  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0600298  Sterimol/B1: 3.20178  Sterimol/B2: 3.48325  Sterimol/B3: 4.09323
  Sterimol/B4: 5.86245  Sterimol/L: 16.6328 
 
 Surface and Volume Properties
  Accessible surface: 515.294  Positive charged surface: 411.436  Negative charged surface: 103.859  Volume: 259.25
  Hydrophobic surface: 394.204  Hydrophilic surface: 121.09
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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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Ions/Tautomers related molecules


MMs02614648
PEAKDALE-ZINC01739636