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ACROSORGANICS-ZINC06731717

 MMsINC code: MMs00019132
Type: Neutral
Formula: C6H11NO2
SMILES:   O1CC(NC1=O)CCC
InChI:   InChI=1/C6H11NO2/c1-2-3-5-4-9-6(8)7-5/h5H,2-4H2,1H3,(H,7,8)/t5-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.11021 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 129.159 g/mol  logS: -1.03297  SlogP: 0.8949  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12945  Sterimol/B1: 2.53942  Sterimol/B2: 3.35526  Sterimol/B3: 3.39741
  Sterimol/B4: 3.68207  Sterimol/L: 10.0629 
 
 Surface and Volume Properties
  Accessible surface: 312.927  Positive charged surface: 224.673  Negative charged surface: 88.2538  Volume: 129.375
  Hydrophobic surface: 189.393  Hydrophilic surface: 123.534
 
 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.