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PUBCHEM-ZINC02735075

 MMsINC code: MMs02913266
Type: Neutral
Formula: C10H19NO3
SMILES:   O(C(=O)CNC(=O)C(CCC)C)CC
InChI:   InChI=1/C10H19NO3/c1-4-6-8(3)10(13)11-7-9(12)14-5-2/h8H,4-7H2,1-3H3,(H,11,13)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=21.4125 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.266 g/mol  logS: -1.93983  SlogP: 1.1019  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.028944  Sterimol/B1: 2.77057  Sterimol/B2: 2.87291  Sterimol/B3: 3.20012
  Sterimol/B4: 4.25722  Sterimol/L: 16.9891 
 
 Surface and Volume Properties
  Accessible surface: 467.69  Positive charged surface: 340.403  Negative charged surface: 127.287  Volume: 211.75
  Hydrophobic surface: 314.801  Hydrophilic surface: 152.889
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.