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ENAMINE-ZINC04524353

 MMsINC code: MMs01545783
Type: Neutral
Formula: C17H13Cl2NO5
SMILES:   Clc1ccc(Cl)cc1OCC(=O)Nc1cc2OCOc2cc1C(=O)C
InChI:   InChI=1/C17H13Cl2NO5/c1-9(21)11-5-15-16(25-8-24-15)6-13(11)20-17(22)7-23-14-4-10(18)2-3-12(14)19/h2-6H,7-8H2,1H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=105.112 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.199 g/mol  logS: -5.16764  SlogP: 3.9422  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0246653  Sterimol/B1: 2.46853  Sterimol/B2: 2.99695  Sterimol/B3: 3.85864
  Sterimol/B4: 8.35571  Sterimol/L: 16.9665 
 
 Surface and Volume Properties
  Accessible surface: 599.534  Positive charged surface: 301.982  Negative charged surface: 297.553  Volume: 313.25
  Hydrophobic surface: 473.495  Hydrophilic surface: 126.039
 
 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.