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MAYBRIDGE-ZINC01047704

 MMsINC code: MMs02157157
Type: Neutral
Formula: C18H12Cl2N2O4
SMILES:   Clc1cc(Oc2oc(cc2)C(=O)NNC(=O)c2ccccc2)cc(Cl)c1
InChI:   InChI=1/C18H12Cl2N2O4/c19-12-8-13(20)10-14(9-12)25-16-7-6-15(26-16)18(24)22-21-17(23)11-4-2-1-3-5-11/h1-10H,(H,21,23)(H,22,24)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.6324 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.21 g/mol  logS: -6.89752  SlogP: 4.4535  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0390509  Sterimol/B1: 4.54429  Sterimol/B2: 4.69244  Sterimol/B3: 4.8744
  Sterimol/B4: 6.71773  Sterimol/L: 16.5658 
 
 Surface and Volume Properties
  Accessible surface: 640.694  Positive charged surface: 260.726  Negative charged surface: 379.968  Volume: 329.375
  Hydrophobic surface: 535.424  Hydrophilic surface: 105.27
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.