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PUBCHEM-ZINC06758512

 MMsINC code: MMs03853849
Type: Neutral
Formula: C10H19NO2
SMILES:   O(CC(=O)N1CCCCC1C)CC
InChI:   InChI=1/C10H19NO2/c1-3-13-8-10(12)11-7-5-4-6-9(11)2/h9H,3-8H2,1-2H3/t9-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.7915 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -1.20833  SlogP: 1.4239  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.067644  Sterimol/B1: 2.79434  Sterimol/B2: 3.4316  Sterimol/B3: 4.19165
  Sterimol/B4: 4.6992  Sterimol/L: 13.1476 
 
 Surface and Volume Properties
  Accessible surface: 418.693  Positive charged surface: 334.932  Negative charged surface: 83.7606  Volume: 198
  Hydrophobic surface: 347.633  Hydrophilic surface: 71.06
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.