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NCID-ZINC01701789

 MMsINC code: MMs02331254
Type: Neutral
Formula: C12H19NO6
SMILES:   O(C(=O)C(NC(=O)C)C(=O)CCC(OCC)=O)CC
InChI:   InChI=1/C12H19NO6/c1-4-18-10(16)7-6-9(15)11(13-8(3)14)12(17)19-5-2/h11H,4-7H2,1-3H3,(H,13,14)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=53.6323 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.285 g/mol  logS: -1.33642  SlogP: -0.0334  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.054845  Sterimol/B1: 2.60174  Sterimol/B2: 3.94547  Sterimol/B3: 4.86788
  Sterimol/B4: 7.2926  Sterimol/L: 15.7247 
 
 Surface and Volume Properties
  Accessible surface: 546.031  Positive charged surface: 386.413  Negative charged surface: 159.618  Volume: 257.5
  Hydrophobic surface: 370.88  Hydrophilic surface: 175.151
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.