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PUBCHEM-ZINC00404081

 MMsINC code: MMs02676603
Type: Neutral
Formula: C10H19NO4
SMILES:   OC1CC(N(C1)C(OC(C)(C)C)=O)CO
InChI:   InChI=1/C10H19NO4/c1-10(2,3)15-9(14)11-5-8(13)4-7(11)6-12/h7-8,12-13H,4-6H2,1-3H3/t7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=53.5633 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.265 g/mol  logS: -0.6611  SlogP: 0.349  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122873  Sterimol/B1: 2.53008  Sterimol/B2: 3.97149  Sterimol/B3: 4.40102
  Sterimol/B4: 5.49745  Sterimol/L: 11.695 
 
 Surface and Volume Properties
  Accessible surface: 439.617  Positive charged surface: 342.613  Negative charged surface: 97.0049  Volume: 212.625
  Hydrophobic surface: 283.956  Hydrophilic surface: 155.661
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.