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NCID-ZINC01589153

 MMsINC code: MMs02244509
Type: Neutral
Formula: C14H21NO6
SMILES:   O=C1CCCC1C(NC(=O)C)(C(OCC)=O)C(OCC)=O
InChI:   InChI=1/C14H21NO6/c1-4-20-12(18)14(15-9(3)16,13(19)21-5-2)10-7-6-8-11(10)17/h10H,4-8H2,1-3H3,(H,15,16)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=55.4811 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.323 g/mol  logS: -1.76336  SlogP: 0.3567  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.201138  Sterimol/B1: 3.07332  Sterimol/B2: 3.84703  Sterimol/B3: 4.78705
  Sterimol/B4: 7.49479  Sterimol/L: 13.9187 
 
 Surface and Volume Properties
  Accessible surface: 526.647  Positive charged surface: 357.326  Negative charged surface: 169.321  Volume: 277.75
  Hydrophobic surface: 392.041  Hydrophilic surface: 134.606
 
 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.