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ENAMINE-ZINC03465704

 MMsINC code: MMs01459469
Type: Neutral
Formula: C15H11Cl2NO3
SMILES:   Clc1cc(Cl)cc(C(OCC(=O)c2ccccc2)=O)c1N
InChI:   InChI=1/C15H11Cl2NO3/c16-10-6-11(14(18)12(17)7-10)15(20)21-8-13(19)9-4-2-1-3-5-9/h1-7H,8,18H2

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Potential Energy
Epot(MMFF94)=79.7235 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.163 g/mol  logS: -5.05532  SlogP: 3.6153  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00325462  Sterimol/B1: 2.30312  Sterimol/B2: 2.44415  Sterimol/B3: 3.86355
  Sterimol/B4: 5.9708  Sterimol/L: 17.2481 
 
 Surface and Volume Properties
  Accessible surface: 536.838  Positive charged surface: 233.396  Negative charged surface: 303.442  Volume: 273.375
  Hydrophobic surface: 429.213  Hydrophilic surface: 107.625
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.