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PUBCHEM-ZINC02046421

 MMsINC code: MMs02864997
Type: Neutral
Formula: C10H19NO3
SMILES:   OC(=O)C(NC(=O)C)CCCCCC
InChI:   InChI=1/C10H19NO3/c1-3-4-5-6-7-9(10(13)14)11-8(2)12/h9H,3-7H2,1-2H3,(H,11,12)(H,13,14)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=13.5062 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.266 g/mol  logS: -2.35617  SlogP: 1.5461  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0541773  Sterimol/B1: 3.03921  Sterimol/B2: 3.06647  Sterimol/B3: 4.03994
  Sterimol/B4: 5.81603  Sterimol/L: 13.7228 
 
 Surface and Volume Properties
  Accessible surface: 460.186  Positive charged surface: 320.695  Negative charged surface: 139.491  Volume: 210.875
  Hydrophobic surface: 305.714  Hydrophilic surface: 154.472
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02864998
PUBCHEM-ZINC02046421