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PUBCHEM-ZINC05501587

 MMsINC code: MMs03288976
Type: Neutral
Formula: C9H17NO3
SMILES:   O(C(=O)C(=O)NC(CC)CC)CC
InChI:   InChI=1/C9H17NO3/c1-4-7(5-2)10-8(11)9(12)13-6-3/h7H,4-6H2,1-3H3,(H,10,11)

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Potential Energy
Epot(MMFF94)=36.7407 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.239 g/mol  logS: -1.55645  SlogP: 0.8543  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0661141  Sterimol/B1: 2.19235  Sterimol/B2: 2.56754  Sterimol/B3: 3.54906
  Sterimol/B4: 7.20832  Sterimol/L: 13.2793 
 
 Surface and Volume Properties
  Accessible surface: 429.601  Positive charged surface: 303.736  Negative charged surface: 125.866  Volume: 194.75
  Hydrophobic surface: 286.32  Hydrophilic surface: 143.281
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: no related molecules available.