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PUBCHEM-ZINC06261851

 MMsINC code: MMs03645118
Type: Neutral
Formula: C10H19NO3
SMILES:   OCC(NC(=O)C1CCCCC1)CO
InChI:   InChI=1/C10H19NO3/c12-6-9(7-13)11-10(14)8-4-2-1-3-5-8/h8-9,12-13H,1-7H2,(H,11,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.563 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.266 g/mol  logS: -1.21255  SlogP: 0.0361  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130335  Sterimol/B1: 3.18638  Sterimol/B2: 3.42915  Sterimol/B3: 3.89849
  Sterimol/B4: 4.38637  Sterimol/L: 12.4229 
 
 Surface and Volume Properties
  Accessible surface: 422.348  Positive charged surface: 352.948  Negative charged surface: 69.4004  Volume: 204.875
  Hydrophobic surface: 310.045  Hydrophilic surface: 112.303
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.