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NCID-ZINC01562231

 MMsINC code: MMs02224233
Type: Neutral
Formula: C10H21NO2
SMILES:   O(C(C)(C)C)C(=O)C(NC)C(C)C
InChI:   InChI=1/C10H21NO2/c1-7(2)8(11-6)9(12)13-10(3,4)5/h7-8,11H,1-6H3/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=57.6638 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.283 g/mol  logS: -1.47803  SlogP: 1.5721  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168062  Sterimol/B1: 2.09467  Sterimol/B2: 2.44494  Sterimol/B3: 4.64591
  Sterimol/B4: 6.31123  Sterimol/L: 11.3663 
 
 Surface and Volume Properties
  Accessible surface: 418.567  Positive charged surface: 313.219  Negative charged surface: 105.348  Volume: 208.625
  Hydrophobic surface: 305.872  Hydrophilic surface: 112.695
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.