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NCID-ZINC05722689

 MMsINC code: MMs02489520
Type: Neutral
Formula: C17H8Cl4N2O4
SMILES:   Clc1cc(Cl)ccc1N1C(=O)C(C(=O)Nc2ccc(Cl)cc2Cl)C(=O)C1=O
InChI:   InChI=1/C17H8Cl4N2O4/c18-7-1-3-11(9(20)5-7)22-15(25)13-14(24)17(27)23(16(13)26)12-4-2-8(19)6-10(12)21/h1-6,13H,(H,22,25)/t13-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.6742 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 446.073 g/mol  logS: -7.03855  SlogP: 3.9974  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0357415  Sterimol/B1: 2.57083  Sterimol/B2: 3.79999  Sterimol/B3: 3.99332
  Sterimol/B4: 6.49699  Sterimol/L: 18.5332 
 
 Surface and Volume Properties
  Accessible surface: 617.223  Positive charged surface: 172.802  Negative charged surface: 444.42  Volume: 334.75
  Hydrophobic surface: 489.313  Hydrophilic surface: 127.91
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02489521
NCID-ZINC05722689


MMs02489522
NCID-ZINC05722689


MMs02489523
NCID-ZINC05722689


MMs02489524
NCID-ZINC05722689