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PUBCHEM-ZINC05916122

 MMsINC code: MMs03442579
Type: Neutral
Formula: C10H19NO
SMILES:   O=C(N1CC(CC(C1)C)C)CC
InChI:   InChI=1/C10H19NO/c1-4-10(12)11-6-8(2)5-9(3)7-11/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.2565 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.268 g/mol  logS: -1.02394  SlogP: 1.9009  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153366  Sterimol/B1: 2.73774  Sterimol/B2: 3.20484  Sterimol/B3: 3.99819
  Sterimol/B4: 4.69438  Sterimol/L: 11.8221 
 
 Surface and Volume Properties
  Accessible surface: 380.728  Positive charged surface: 290.335  Negative charged surface: 90.3933  Volume: 190.625
  Hydrophobic surface: 293.279  Hydrophilic surface: 87.449
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.