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NCID-ZINC01627273

 MMsINC code: MMs02273513
Type: Neutral
Formula: C12H23NO4
SMILES:   O(C(=O)CCCNCCCC(OCC)=O)CC
InChI:   InChI=1/C12H23NO4/c1-3-16-11(14)7-5-9-13-10-6-8-12(15)17-4-2/h13H,3-10H2,1-2H3

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Potential Energy
Epot(MMFF94)=2.97438 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.319 g/mol  logS: -0.99562  SlogP: 1.2626  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0132675  Sterimol/B1: 2.41823  Sterimol/B2: 2.43017  Sterimol/B3: 2.63802
  Sterimol/B4: 3.37649  Sterimol/L: 21.8374 
 
 Surface and Volume Properties
  Accessible surface: 568.148  Positive charged surface: 443.851  Negative charged surface: 124.297  Volume: 253.75
  Hydrophobic surface: 421.175  Hydrophilic surface: 146.973
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02273514
NCID-ZINC01627273