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PUBCHEM-ZINC05497894

 MMsINC code: MMs03287192
Type: Neutral
Formula: C10H21NO
SMILES:   O=C(NCC(C)C)CC(C)(C)C
InChI:   InChI=1/C10H21NO/c1-8(2)7-11-9(12)6-10(3,4)5/h8H,6-7H2,1-5H3,(H,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.3084 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.284 g/mol  logS: -2.24865  SlogP: 2.1948  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.089886  Sterimol/B1: 2.59902  Sterimol/B2: 3.11476  Sterimol/B3: 3.54162
  Sterimol/B4: 4.40204  Sterimol/L: 13.3595 
 
 Surface and Volume Properties
  Accessible surface: 417.545  Positive charged surface: 311.773  Negative charged surface: 105.773  Volume: 201.125
  Hydrophobic surface: 299.993  Hydrophilic surface: 117.552
 
 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.