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PUBCHEM-ZINC04018768

 MMsINC code: MMs03087308
Type: Neutral
Formula: C17H14Cl2N2O2
SMILES:   Clc1cccc(Cl)c1C1N(N=C(C1)c1ccc(O)cc1)C(=O)C
InChI:   InChI=1/C17H14Cl2N2O2/c1-10(22)21-16(17-13(18)3-2-4-14(17)19)9-15(20-21)11-5-7-12(23)8-6-11/h2-8,16,23H,9H2,1H3/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=90.9177 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: 0.115558  Sterimol/B1: 2.22549  Sterimol/B2: 4.47838  Sterimol/B3: 4.61013
  Sterimol/B4: 7.87157  Sterimol/L: 15.0602 
 
 Surface and Volume Properties
  Accessible surface: 545.01  Positive charged surface: 269.782  Negative charged surface: 275.228  Volume: 304.375
  Hydrophobic surface: 456.73  Hydrophilic surface: 88.28
 
 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.