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ENAMINE-ZINC03559702

 MMsINC code: MMs01508287
Type: Neutral
Formula: C17H26N2O4
SMILES:   OC1CCC(NC(=O)CCN2C(=O)C3C(CCCC3)C2=O)CC1
InChI:   InChI=1/C17H26N2O4/c20-12-7-5-11(6-8-12)18-15(21)9-10-19-16(22)13-3-1-2-4-14(13)17(19)23/h11-14,20H,1-10H2,(H,18,21)/t11-,12-,13-,14-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.3998 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.405 g/mol  logS: -2.09692  SlogP: 0.9714  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0383889  Sterimol/B1: 2.71765  Sterimol/B2: 3.24953  Sterimol/B3: 4.1343
  Sterimol/B4: 4.61939  Sterimol/L: 18.9241 
 
 Surface and Volume Properties
  Accessible surface: 584.572  Positive charged surface: 435.481  Negative charged surface: 149.09  Volume: 312
  Hydrophobic surface: 424.528  Hydrophilic surface: 160.044
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.