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MAYBRIDGE-ZINC00088663

 MMsINC code: MMs02129809
Type: Neutral
Formula: C17H14Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1C1N(N=C(C1)c1ccccc1O)C(=O)C
InChI:   InChI=1/C17H14Cl2N2O2/c1-10(22)21-16(12-7-6-11(18)8-14(12)19)9-15(20-21)13-4-2-3-5-17(13)23/h2-8,16,23H,9H2,1H3/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=83.6793 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.217 g/mol  logS: -4.87571  SlogP: 4.4921  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121881  Sterimol/B1: 2.28416  Sterimol/B2: 4.26757  Sterimol/B3: 4.47286
  Sterimol/B4: 8.3061  Sterimol/L: 15.372 
 
 Surface and Volume Properties
  Accessible surface: 554.636  Positive charged surface: 260.095  Negative charged surface: 294.541  Volume: 304.25
  Hydrophobic surface: 482.634  Hydrophilic surface: 72.002
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.