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PUBCHEM-ZINC05665065

 MMsINC code: MMs03339832
Type: Neutral
Formula: C10H19NO
SMILES:   O=C(NC1CCCC1)C(CC)C
InChI:   InChI=1/C10H19NO/c1-3-8(2)10(12)11-9-6-4-5-7-9/h8-9H,3-7H2,1-2H3,(H,11,12)/t8-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.8132 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.268 g/mol  logS: -1.64515  SlogP: 2.0913  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104807  Sterimol/B1: 3.15795  Sterimol/B2: 3.26491  Sterimol/B3: 3.58216
  Sterimol/B4: 3.62295  Sterimol/L: 13.0052 
 
 Surface and Volume Properties
  Accessible surface: 402.579  Positive charged surface: 296.49  Negative charged surface: 106.089  Volume: 192
  Hydrophobic surface: 327.022  Hydrophilic surface: 75.557
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.