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PUBCHEM-ZINC02526099

 MMsINC code: MMs02893683
Type: Neutral
Formula: C18H13Cl2NO2
SMILES:   Clc1ccc2c(nc(-c3ccc(Cl)cc3)c(C)c2C(O)=O)c1C
InChI:   InChI=1/C18H13Cl2NO2/c1-9-14(20)8-7-13-15(18(22)23)10(2)16(21-17(9)13)11-3-5-12(19)6-4-11/h3-8H,1-2H3,(H,22,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.4633 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.213 g/mol  logS: -6.12752  SlogP: 5.52364  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.039015  Sterimol/B1: 2.16809  Sterimol/B2: 2.54123  Sterimol/B3: 3.46537
  Sterimol/B4: 9.27193  Sterimol/L: 15.4943 
 
 Surface and Volume Properties
  Accessible surface: 540.794  Positive charged surface: 220.535  Negative charged surface: 312.006  Volume: 301.625
  Hydrophobic surface: 444.235  Hydrophilic surface: 96.559
 
 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


MMs02893684
PUBCHEM-ZINC02526099