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MAYBRIDGE-ZINC04334865

 MMsINC code: MMs02167929
Type: Neutral
Formula: C15H12Cl2N2O5
SMILES:   Clc1cccc(Cl)c1Oc1ncc(NC(=O)COCC(O)=O)cc1
InChI:   InChI=1/C15H12Cl2N2O5/c16-10-2-1-3-11(17)15(10)24-13-5-4-9(6-18-13)19-12(20)7-23-8-14(21)22/h1-6H,7-8H2,(H,19,20)(H,21,22)

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Potential Energy
Epot(MMFF94)=98.1662 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.176 g/mol  logS: -4.02986  SlogP: 3.2204  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0454442  Sterimol/B1: 2.73026  Sterimol/B2: 3.52773  Sterimol/B3: 4.73995
  Sterimol/B4: 5.49483  Sterimol/L: 19.4991 
 
 Surface and Volume Properties
  Accessible surface: 599.569  Positive charged surface: 315.464  Negative charged surface: 284.105  Volume: 301.75
  Hydrophobic surface: 438.723  Hydrophilic surface: 160.846
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02167930
MAYBRIDGE-ZINC04334865