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ENAMINE-ZINC05631637

 MMsINC code: MMs01628921
Type: Neutral
Formula: C15H12Cl2N2O3
SMILES:   Clc1cc(cnc1Cl)C(=O)NCC1Oc2c(OC1)cccc2
InChI:   InChI=1/C15H12Cl2N2O3/c16-11-5-9(6-18-14(11)17)15(20)19-7-10-8-21-12-3-1-2-4-13(12)22-10/h1-6,10H,7-8H2,(H,19,20)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=79.0714 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.178 g/mol  logS: -4.09665  SlogP: 2.9582  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0254837  Sterimol/B1: 2.66838  Sterimol/B2: 2.95545  Sterimol/B3: 3.47341
  Sterimol/B4: 6.08013  Sterimol/L: 17.3826 
 
 Surface and Volume Properties
  Accessible surface: 555.96  Positive charged surface: 280.024  Negative charged surface: 275.936  Volume: 283.5
  Hydrophobic surface: 476.079  Hydrophilic surface: 79.881
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.