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PUBCHEM-ZINC05819711

 MMsINC code: MMs03398816
Type: Neutral
Formula: C10H19NO3
SMILES:   OC(=O)CNC(=O)C(CCC)CCC
InChI:   InChI=1/C10H19NO3/c1-3-5-8(6-4-2)10(14)11-7-9(12)13/h8H,3-7H2,1-2H3,(H,11,14)(H,12,13)

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Potential Energy
Epot(MMFF94)=18.0833 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.266 g/mol  logS: -2.23073  SlogP: 1.4036  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0730893  Sterimol/B1: 2.02285  Sterimol/B2: 2.73606  Sterimol/B3: 3.1366
  Sterimol/B4: 8.94547  Sterimol/L: 13.1012 
 
 Surface and Volume Properties
  Accessible surface: 452.104  Positive charged surface: 322.858  Negative charged surface: 129.245  Volume: 209.5
  Hydrophobic surface: 269.942  Hydrophilic surface: 182.162
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs03398817
PUBCHEM-ZINC05819711