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ENAMINE-ZINC03596508

 MMsINC code: MMs01520069
Type: Neutral
Formula: C17H14Cl2N2O5
SMILES:   Clc1ccc(Cl)cc1OCC(=O)NC(=O)Nc1cc2OCCOc2cc1
InChI:   InChI=1/C17H14Cl2N2O5/c18-10-1-3-12(19)14(7-10)26-9-16(22)21-17(23)20-11-2-4-13-15(8-11)25-6-5-24-13/h1-4,7-8H,5-6,9H2,(H2,20,21,22,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.9641 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.214 g/mol  logS: -5.3784  SlogP: 3.4917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0125723  Sterimol/B1: 2.097  Sterimol/B2: 4.06592  Sterimol/B3: 4.0804
  Sterimol/B4: 5.81727  Sterimol/L: 20.8487 
 
 Surface and Volume Properties
  Accessible surface: 630.971  Positive charged surface: 342.28  Negative charged surface: 288.691  Volume: 327.75
  Hydrophobic surface: 509.302  Hydrophilic surface: 121.669
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.