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ASINEX-ZINC00825882

 MMsINC code: MMs00182945
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-/m0/s1

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Potential Energy
Epot(MMFF94)=59.8681 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: 0.082342  Sterimol/B1: 3.15402  Sterimol/B2: 4.30139  Sterimol/B3: 4.45161
  Sterimol/B4: 6.84897  Sterimol/L: 15.8999 
 
 Surface and Volume Properties
  Accessible surface: 604.784  Positive charged surface: 257.456  Negative charged surface: 347.329  Volume: 320.75
  Hydrophobic surface: 392.404  Hydrophilic surface: 212.38
 
 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.