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PUBCHEM-ZINC06529964

 MMsINC code: MMs03785417
Type: Neutral
Formula: C18H12Cl2N2O2
SMILES:   Clc1cc(Cl)cc(N=Nc2ccc(Oc3ccccc3)cc2)c1O
InChI:   InChI=1/C18H12Cl2N2O2/c19-12-10-16(20)18(23)17(11-12)22-21-13-6-8-15(9-7-13)24-14-4-2-1-3-5-14/h1-11,23H/b22-21+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.8574 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.212 g/mol  logS: -6.16702  SlogP: 6.9067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0529241  Sterimol/B1: 2.74315  Sterimol/B2: 3.88138  Sterimol/B3: 4.92783
  Sterimol/B4: 5.40008  Sterimol/L: 18.3354 
 
 Surface and Volume Properties
  Accessible surface: 602.064  Positive charged surface: 263.851  Negative charged surface: 338.213  Volume: 313
  Hydrophobic surface: 560.915  Hydrophilic surface: 41.149
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.