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PUBCHEM-ZINC01937942

 MMsINC code: MMs02832800
Type: Neutral
Formula: C19H14Cl2N2O4
SMILES:   ClC1=C(Nc2cc(Cl)c(cc2)C)C(=O)N(C1=O)c1ccc(cc1)C(OC)=O
InChI:   InChI=1/C19H14Cl2N2O4/c1-10-3-6-12(9-14(10)20)22-16-15(21)17(24)23(18(16)25)13-7-4-11(5-8-13)19(26)27-2/h3-9,22H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.698 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.237 g/mol  logS: -6.28662  SlogP: 3.97962  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0376522  Sterimol/B1: 2.33529  Sterimol/B2: 2.52428  Sterimol/B3: 4.14631
  Sterimol/B4: 9.31153  Sterimol/L: 18.685 
 
 Surface and Volume Properties
  Accessible surface: 636.196  Positive charged surface: 311.914  Negative charged surface: 324.283  Volume: 342.125
  Hydrophobic surface: 519.31  Hydrophilic surface: 116.886
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.