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NCID-ZINC01639636

 MMsINC code: MMs02281807
Type: Neutral
Formula: C26H20Cl2N4O3
SMILES:   Clc1ccc(NC(=O)Nc2ccc(Oc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)cc2)cc1
InChI:   InChI=1/C26H20Cl2N4O3/c27-17-1-5-19(6-2-17)29-25(33)31-21-9-13-23(14-10-21)35-24-15-11-22(12-16-24)32-26(34)30-20-7-3-18(28)4-8-20/h1-16H,(H2,29,31,33)(H2,30,32,34)

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Potential Energy
Epot(MMFF94)=121.934 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 507.377 g/mol  logS: -8.37051  SlogP: 8.0737  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0562694  Sterimol/B1: 3.4692  Sterimol/B2: 4.96556  Sterimol/B3: 5.33308
  Sterimol/B4: 9.26372  Sterimol/L: 19.3954 
 
 Surface and Volume Properties
  Accessible surface: 812.318  Positive charged surface: 404.218  Negative charged surface: 408.099  Volume: 446.5
  Hydrophobic surface: 692.449  Hydrophilic surface: 119.869
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.