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OAKWOOD-ZINC01433133

 MMsINC code: MMs02543190
Type: Neutral
Formula: C13H23NO4
SMILES:   O(C(C)(C)C)C(=O)N1CCC(CC1)CCC(O)=O
InChI:   InChI=1/C13H23NO4/c1-13(2,3)18-12(17)14-8-6-10(7-9-14)4-5-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=18.3947 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.33 g/mol  logS: -1.42381  SlogP: 2.4983  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0742725  Sterimol/B1: 2.05782  Sterimol/B2: 3.9565  Sterimol/B3: 4.40113
  Sterimol/B4: 5.26226  Sterimol/L: 15.9349 
 
 Surface and Volume Properties
  Accessible surface: 508.404  Positive charged surface: 375.734  Negative charged surface: 132.669  Volume: 257.125
  Hydrophobic surface: 339.02  Hydrophilic surface: 169.384
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs02543191
OAKWOOD-ZINC01433133