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NCID-ZINC01649957

 MMsINC code: MMs02289787
Type: Neutral
Formula: C11H21NO2
SMILES:   O=C(C(C)(C)C)C(N)C(=O)C(C)(C)C
InChI:   InChI=1/C11H21NO2/c1-10(2,3)8(13)7(12)9(14)11(4,5)6/h7H,12H2,1-6H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.4569 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.294 g/mol  logS: -1.16994  SlogP: 1.5441  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.204137  Sterimol/B1: 2.49722  Sterimol/B2: 2.55744  Sterimol/B3: 4.44057
  Sterimol/B4: 5.66747  Sterimol/L: 11.3722 
 
 Surface and Volume Properties
  Accessible surface: 405.661  Positive charged surface: 270.46  Negative charged surface: 135.201  Volume: 217.25
  Hydrophobic surface: 228.698  Hydrophilic surface: 176.963
 
 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: no related molecules available.