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ENAMINE-ZINC01751813

 MMsINC code: MMs01243942
Type: Neutral
Formula: C18H19Cl2NO5
SMILES:   Clc1cc(Cl)cnc1Oc1ccc(OC(C(OCCOCC)=O)C)cc1
InChI:   InChI=1/C18H19Cl2NO5/c1-3-23-8-9-24-18(22)12(2)25-14-4-6-15(7-5-14)26-17-16(20)10-13(19)11-21-17/h4-7,10-12H,3,8-9H2,1-2H3/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=99.1792 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.258 g/mol  logS: -4.9449  SlogP: 4.5277  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0608606  Sterimol/B1: 2.18662  Sterimol/B2: 4.84411  Sterimol/B3: 5.35696
  Sterimol/B4: 6.01566  Sterimol/L: 20.1764 
 
 Surface and Volume Properties
  Accessible surface: 699.349  Positive charged surface: 406.545  Negative charged surface: 292.804  Volume: 353.625
  Hydrophobic surface: 602.192  Hydrophilic surface: 97.157
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.