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CHEMBRIDGE-ZINC04819096

 MMsINC code: MMs00791072
Type: Neutral
Formula: C22H17Cl2NO3
SMILES:   Clc1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c(cc1Cl)C(O)=O
InChI:   InChI=1/C22H17Cl2NO3/c23-19-11-17(18(22(27)28)12-20(19)24)21(26)25(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,27,28)

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Potential Energy
Epot(MMFF94)=96.3748 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.288 g/mol  logS: -6.3988  SlogP: 6.067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.207744  Sterimol/B1: 4.97212  Sterimol/B2: 5.11959  Sterimol/B3: 5.31281
  Sterimol/B4: 7.09329  Sterimol/L: 14.4448 
 
 Surface and Volume Properties
  Accessible surface: 616.453  Positive charged surface: 278.305  Negative charged surface: 338.148  Volume: 367.375
  Hydrophobic surface: 518.53  Hydrophilic surface: 97.923
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00791073
CHEMBRIDGE-ZINC04819096