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PUBCHEM-ZINC06455146

 MMsINC code: MMs03742671
Type: Neutral
Formula: C22H15ClN2O3
SMILES:   Clc1cc(N2C(O)=C(c3c(cccc3)C2=O)\C=N\c2ccc(O)cc2)ccc1
InChI:   InChI=1/C22H15ClN2O3/c23-14-4-3-5-16(12-14)25-21(27)19-7-2-1-6-18(19)20(22(25)28)13-24-15-8-10-17(26)11-9-15/h1-13,26,28H/b24-13+

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Potential Energy
Epot(MMFF94)=125.738 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.826 g/mol  logS: -5.94025  SlogP: 5.3351  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0575976  Sterimol/B1: 3.16043  Sterimol/B2: 3.43031  Sterimol/B3: 4.96043
  Sterimol/B4: 8.51964  Sterimol/L: 17.428 
 
 Surface and Volume Properties
  Accessible surface: 634.418  Positive charged surface: 316.534  Negative charged surface: 317.885  Volume: 348.25
  Hydrophobic surface: 513.144  Hydrophilic surface: 121.274
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.