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ENAMINE-ZINC03489671

 MMsINC code: MMs01470517
Type: Neutral
Formula: C15H20N2O4
SMILES:   O(C(=O)c1ccc(cc1)CC)CC(=O)NC(=O)NC(C)C
InChI:   InChI=1/C15H20N2O4/c1-4-11-5-7-12(8-6-11)14(19)21-9-13(18)17-15(20)16-10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,16,17,18,20)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.8465 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.335 g/mol  logS: -3.81127  SlogP: 1.63997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0212903  Sterimol/B1: 2.45772  Sterimol/B2: 2.50661  Sterimol/B3: 4.19033
  Sterimol/B4: 5.60024  Sterimol/L: 19.8579 
 
 Surface and Volume Properties
  Accessible surface: 582.866  Positive charged surface: 380  Negative charged surface: 202.866  Volume: 287.125
  Hydrophobic surface: 381.201  Hydrophilic surface: 201.665
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.