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PUBCHEM-ZINC00192910

 MMsINC code: MMs02638095
Type: Neutral
Formula: C10H15NO3
SMILES:   O=C1CC(CC(=O)C1NC(=O)C)(C)C
InChI:   InChI=1/C10H15NO3/c1-6(12)11-9-7(13)4-10(2,3)5-8(9)14/h9H,4-5H2,1-3H3,(H,11,12)

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Potential Energy
Epot(MMFF94)=48.8375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.234 g/mol  logS: -1.57806  SlogP: 0.4493  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.180567  Sterimol/B1: 3.10696  Sterimol/B2: 3.76037  Sterimol/B3: 3.99249
  Sterimol/B4: 4.30865  Sterimol/L: 11.5872 
 
 Surface and Volume Properties
  Accessible surface: 389.571  Positive charged surface: 228.273  Negative charged surface: 161.298  Volume: 191.625
  Hydrophobic surface: 240.934  Hydrophilic surface: 148.637
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02638096
PUBCHEM-ZINC00192910