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MAYBRIDGE-ZINC01034299

 MMsINC code: MMs02150716
Type: Neutral
Formula: C16H11Cl3N2O
SMILES:   Clc1cc(Cl)ccc1CNC(=O)c1[nH]c2c(c1)cc(Cl)cc2
InChI:   InChI=1/C16H11Cl3N2O/c17-11-3-4-14-10(5-11)6-15(21-14)16(22)20-8-9-1-2-12(18)7-13(9)19/h1-7,21H,8H2,(H,20,22)

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Potential Energy
Epot(MMFF94)=27.5874 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.636 g/mol  logS: -5.9446  SlogP: 5.3245  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0489334  Sterimol/B1: 2.39874  Sterimol/B2: 4.0173  Sterimol/B3: 5.12709
  Sterimol/B4: 5.849  Sterimol/L: 18.2722 
 
 Surface and Volume Properties
  Accessible surface: 567.601  Positive charged surface: 204.071  Negative charged surface: 357.752  Volume: 294.5
  Hydrophobic surface: 498.031  Hydrophilic surface: 69.57
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.