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ASINEX-ZINC00198385

 MMsINC code: MMs00090720
Type: Neutral
Formula: C12H23NO3
SMILES:   OC(C(CO)(C)C)C(=O)NC1CCCCC1
InChI:   InChI=1/C12H23NO3/c1-12(2,8-14)10(15)11(16)13-9-6-4-3-5-7-9/h9-10,14-15H,3-8H2,1-2H3,(H,13,16)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=44.2872 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.32 g/mol  logS: -1.43448  SlogP: 0.8147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11573  Sterimol/B1: 2.81402  Sterimol/B2: 3.86627  Sterimol/B3: 4.02923
  Sterimol/B4: 4.32294  Sterimol/L: 13.3357 
 
 Surface and Volume Properties
  Accessible surface: 453.402  Positive charged surface: 338.753  Negative charged surface: 114.649  Volume: 235
  Hydrophobic surface: 317.607  Hydrophilic surface: 135.795
 
 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: no related molecules available.