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MAYBRIDGE-ZINC00162387

 MMsINC code: MMs02144420
Type: Neutral
Formula: C10H21NO
SMILES:   O=C(NC(C)(C)C)CC(C)(C)C
InChI:   InChI=1/C10H21NO/c1-9(2,3)7-8(12)11-10(4,5)6/h7H2,1-6H3,(H,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.8782 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.284 g/mol  logS: -2.49953  SlogP: 2.3373  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169174  Sterimol/B1: 2.16753  Sterimol/B2: 2.37461  Sterimol/B3: 3.9753
  Sterimol/B4: 4.87462  Sterimol/L: 12.149 
 
 Surface and Volume Properties
  Accessible surface: 405.023  Positive charged surface: 290.419  Negative charged surface: 114.604  Volume: 199.75
  Hydrophobic surface: 278.218  Hydrophilic surface: 126.805
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.