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ASINEX-ZINC00825883

 MMsINC code: MMs00182946
Type: Neutral
Formula: C16H15Cl3N2O2
SMILES:   ClC(Cl)(Cl)C(Nc1ccccc1)NC(OCc1ccccc1)=O
InChI:   InChI=1/C16H15Cl3N2O2/c17-16(18,19)14(20-13-9-5-2-6-10-13)21-15(22)23-11-12-7-3-1-4-8-12/h1-10,14,20H,11H2,(H,21,22)/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=59.7593 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.667 g/mol  logS: -5.48712  SlogP: 5.4075  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0821487  Sterimol/B1: 3.15364  Sterimol/B2: 4.27245  Sterimol/B3: 4.45071
  Sterimol/B4: 6.8396  Sterimol/L: 15.9471 
 
 Surface and Volume Properties
  Accessible surface: 605.346  Positive charged surface: 259.159  Negative charged surface: 346.186  Volume: 320.625
  Hydrophobic surface: 393.855  Hydrophilic surface: 211.491
 
 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.