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ENAMINE-ZINC06114706

 MMsINC code: MMs01658313
Type: Neutral
Formula: C18H14Cl2N2O5
SMILES:   Clc1cccc(Cl)c1OCCN1C(=O)C(=O)N(c2ccc(OC)cc2)C1=O
InChI:   InChI=1/C18H14Cl2N2O5/c1-26-12-7-5-11(6-8-12)22-17(24)16(23)21(18(22)25)9-10-27-15-13(19)3-2-4-14(15)20/h2-8H,9-10H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.2532 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.225 g/mol  logS: -5.50335  SlogP: 3.3762  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107501  Sterimol/B1: 2.44226  Sterimol/B2: 4.01481  Sterimol/B3: 4.89971
  Sterimol/B4: 8.22622  Sterimol/L: 16.0627 
 
 Surface and Volume Properties
  Accessible surface: 605.966  Positive charged surface: 312.596  Negative charged surface: 293.371  Volume: 338.875
  Hydrophobic surface: 500.279  Hydrophilic surface: 105.687
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.