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IBS-ZINC00539244

 MMsINC code: MMs01750354
Type: Neutral
Formula: C11H20N2O3
SMILES:   O(C(=O)C(NC(=O)N1CCC(CC1)C)C)C
InChI:   InChI=1/C11H20N2O3/c1-8-4-6-13(7-5-8)11(15)12-9(2)10(14)16-3/h8-9H,4-7H2,1-3H3,(H,12,15)/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.1973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.292 g/mol  logS: -1.50309  SlogP: 0.9894  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0829709  Sterimol/B1: 2.72254  Sterimol/B2: 3.04769  Sterimol/B3: 4.50491
  Sterimol/B4: 4.68299  Sterimol/L: 15.4726 
 
 Surface and Volume Properties
  Accessible surface: 471.625  Positive charged surface: 370.526  Negative charged surface: 101.099  Volume: 228.625
  Hydrophobic surface: 362.588  Hydrophilic surface: 109.037
 
 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.