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CHEMDIV-ZINC05198087

 MMsINC code: MMs00994989
Type: Neutral
Formula: C17H11ClN2O5
SMILES:   Clc1cc(NC(=O)CN2C(=O)c3c(cccc3)C2=O)c(cc1)C(O)=O
InChI:   InChI=1/C17H11ClN2O5/c18-9-5-6-12(17(24)25)13(7-9)19-14(21)8-20-15(22)10-3-1-2-4-11(10)16(20)23/h1-7H,8H2,(H,19,21)(H,24,25)

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Potential Energy
Epot(MMFF94)=68.5804 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.737 g/mol  logS: -4.63485  SlogP: 2.2729  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.069999  Sterimol/B1: 2.80427  Sterimol/B2: 4.61184  Sterimol/B3: 5.43697
  Sterimol/B4: 5.97871  Sterimol/L: 15.9014 
 
 Surface and Volume Properties
  Accessible surface: 572.64  Positive charged surface: 275.009  Negative charged surface: 297.631  Volume: 297.75
  Hydrophobic surface: 375.028  Hydrophilic surface: 197.612
 
 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


MMs00994990
CHEMDIV-ZINC05198087