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ENAMINE-ZINC03324477

 MMsINC code: MMs01372212
Type: Neutral
Formula: C19H14Cl2N2O4
SMILES:   Clc1cc(C(=O)c2cn(nc2)C(=O)COc2ccc(Cl)cc2C)c(O)cc1
InChI:   InChI=1/C19H14Cl2N2O4/c1-11-6-13(20)3-5-17(11)27-10-18(25)23-9-12(8-22-23)19(26)15-7-14(21)2-4-16(15)24/h2-9,24H,10H2,1H3

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Potential Energy
Epot(MMFF94)=103.241 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.237 g/mol  logS: -5.28687  SlogP: 4.15412  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0359402  Sterimol/B1: 2.46785  Sterimol/B2: 3.98377  Sterimol/B3: 4.71886
  Sterimol/B4: 6.81175  Sterimol/L: 19.8262 
 
 Surface and Volume Properties
  Accessible surface: 653.829  Positive charged surface: 297.744  Negative charged surface: 356.085  Volume: 342.75
  Hydrophobic surface: 509.23  Hydrophilic surface: 144.599
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.