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ENAMINE-ZINC03489787

 MMsINC code: MMs01470610
Type: Neutral
Formula: C15H20N2O4
SMILES:   O(C(=O)c1ccc(cc1)CC)CC(=O)NC(=O)NCCC
InChI:   InChI=1/C15H20N2O4/c1-3-9-16-15(20)17-13(18)10-21-14(19)12-7-5-11(4-2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H2,16,17,18,20)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.9201 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.335 g/mol  logS: -3.68583  SlogP: 1.64157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.011579  Sterimol/B1: 2.6393  Sterimol/B2: 2.64607  Sterimol/B3: 2.96888
  Sterimol/B4: 5.43081  Sterimol/L: 21.248 
 
 Surface and Volume Properties
  Accessible surface: 588.497  Positive charged surface: 395.287  Negative charged surface: 193.21  Volume: 285.5
  Hydrophobic surface: 396.299  Hydrophilic surface: 192.198
 
 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.