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NCID-ZINC01631062

 MMsINC code: MMs02276134
Type: Neutral
Formula: C13H21NO5
SMILES:   O=C1NC(C(OCC)=O)(C(OCC)=O)C(C1)CCC
InChI:   InChI=1/C13H21NO5/c1-4-7-9-8-10(15)14-13(9,11(16)18-5-2)12(17)19-6-3/h9H,4-8H2,1-3H3,(H,14,15)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=49.9778 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.313 g/mol  logS: -2.69861  SlogP: 0.7876  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146734  Sterimol/B1: 2.7485  Sterimol/B2: 3.07437  Sterimol/B3: 5.70894
  Sterimol/B4: 7.66536  Sterimol/L: 14.309 
 
 Surface and Volume Properties
  Accessible surface: 525.988  Positive charged surface: 362.2  Negative charged surface: 163.788  Volume: 261.75
  Hydrophobic surface: 341.188  Hydrophilic surface: 184.8
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.