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CHEMBRIDGE-ZINC01225682

 MMsINC code: MMs00690517
Type: Neutral
Formula: C19H14Cl2N2O4
SMILES:   Clc1cc(Cl)ccc1\C=C/1\C(=O)N(c2ccc(OCC)cc2)C(=O)NC\1=O
InChI:   InChI=1/C19H14Cl2N2O4/c1-2-27-14-7-5-13(6-8-14)23-18(25)15(17(24)22-19(23)26)9-11-3-4-12(20)10-16(11)21/h3-10H,2H2,1H3,(H,22,24,26)/b15-9-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.2405 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.237 g/mol  logS: -6.37514  SlogP: 4.0585  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0837705  Sterimol/B1: 4.13436  Sterimol/B2: 4.35502  Sterimol/B3: 5.77741
  Sterimol/B4: 7.37111  Sterimol/L: 16.1451 
 
 Surface and Volume Properties
  Accessible surface: 623.959  Positive charged surface: 302.443  Negative charged surface: 321.516  Volume: 339.875
  Hydrophobic surface: 473.292  Hydrophilic surface: 150.667
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs00690518
CHEMBRIDGE-ZINC01225682