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NCID-ZINC01562270

 MMsINC code: MMs02224259
Type: Neutral
Formula: C13H21NO4
SMILES:   OC(=O)C(N1CCCCC1)(C(O)=O)C1CCCC1
InChI:   InChI=1/C13H21NO4/c15-11(16)13(12(17)18,10-6-2-3-7-10)14-8-4-1-5-9-14/h10H,1-9H2,(H,15,16)(H,17,18)

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Potential Energy
Epot(MMFF94)=79.6485 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.314 g/mol  logS: -1.89341  SlogP: 1.5705  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.25212  Sterimol/B1: 3.11125  Sterimol/B2: 4.04907  Sterimol/B3: 4.60406
  Sterimol/B4: 5.40444  Sterimol/L: 11.9769 
 
 Surface and Volume Properties
  Accessible surface: 441.084  Positive charged surface: 328.895  Negative charged surface: 112.19  Volume: 242.625
  Hydrophobic surface: 316.902  Hydrophilic surface: 124.182
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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


MMs02224260
NCID-ZINC01562270