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ENAMINE-ZINC02549791

 MMsINC code: MMs01251805
Type: Neutral
Formula: C14H12Cl2N2O3
SMILES:   Clc1cc(Cl)ccc1OCC(=O)Nc1ccc(OC)nc1
InChI:   InChI=1/C14H12Cl2N2O3/c1-20-14-5-3-10(7-17-14)18-13(19)8-21-12-4-2-9(15)6-11(12)16/h2-7H,8H2,1H3,(H,18,19)

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Potential Energy
Epot(MMFF94)=83.6626 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.167 g/mol  logS: -4.00377  SlogP: 3.4145  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0125783  Sterimol/B1: 2.51764  Sterimol/B2: 3.08587  Sterimol/B3: 3.57953
  Sterimol/B4: 5.12249  Sterimol/L: 19.7752 
 
 Surface and Volume Properties
  Accessible surface: 558.162  Positive charged surface: 310.808  Negative charged surface: 247.354  Volume: 277.125
  Hydrophobic surface: 483.182  Hydrophilic surface: 74.98
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.