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ENAMINE-ZINC03491488

 MMsINC code: MMs01471566
Type: Neutral
Formula: C11H18NO3-
SMILES:   O=C([O-])C1CCN(CC1)C(=O)C(C)(C)C
InChI:   InChI=1/C11H19NO3/c1-11(2,3)10(15)12-6-4-8(5-7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/p-1

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Potential Energy
Epot(MMFF94)=31.9368 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.269 g/mol  logS: -0.83494  SlogP: 0.021  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168128  Sterimol/B1: 2.77141  Sterimol/B2: 3.37307  Sterimol/B3: 4.23579
  Sterimol/B4: 4.42848  Sterimol/L: 12.3147 
 
 Surface and Volume Properties
  Accessible surface: 411.349  Positive charged surface: 276.113  Negative charged surface: 135.235  Volume: 214.125
  Hydrophobic surface: 259.15  Hydrophilic surface: 152.199
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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


MMs01471567
ENAMINE-ZINC03491488