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PUBCHEM-ZINC05907475

 MMsINC code: MMs03439297
Type: Neutral
Formula: C10H19NO2
SMILES:   O1CCCC1C(=O)NCCC(C)C
InChI:   InChI=1/C10H19NO2/c1-8(2)5-6-11-10(12)9-4-3-7-13-9/h8-9H,3-7H2,1-2H3,(H,11,12)/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.0973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -2.01755  SlogP: 1.3277  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0452534  Sterimol/B1: 2.24885  Sterimol/B2: 2.85571  Sterimol/B3: 3.11334
  Sterimol/B4: 4.87679  Sterimol/L: 14.1969 
 
 Surface and Volume Properties
  Accessible surface: 432.355  Positive charged surface: 330.633  Negative charged surface: 101.722  Volume: 200.875
  Hydrophobic surface: 331.185  Hydrophilic surface: 101.17
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.