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PUBCHEM-ZINC06581743

 MMsINC code: MMs03807763
Type: Neutral
Formula: C13H10Cl3N2OPS
SMILES:   ClC(Cl)(Cl)P1(=O)Nc2cc(Sc3ccccc3)ccc2N1
InChI:   InChI=1/C13H10Cl3N2OPS/c14-13(15,16)20(19)17-11-7-6-10(8-12(11)18-20)21-9-4-2-1-3-5-9/h1-8H,(H2,17,18,19)/t20-/m1/s1

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Potential Energy
Epot(MMFF94)=97.9494 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.635 g/mol  logS: -5.80804  SlogP: 5.5457  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109061  Sterimol/B1: 2.89624  Sterimol/B2: 3.40252  Sterimol/B3: 4.24009
  Sterimol/B4: 5.93154  Sterimol/L: 15.4952 
 
 Surface and Volume Properties
  Accessible surface: 545.826  Positive charged surface: 193.483  Negative charged surface: 352.343  Volume: 295.625
  Hydrophobic surface: 275.463  Hydrophilic surface: 270.363
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.