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CHEMBRIDGE-ZINC03155628

 MMsINC code: MMs00752592
Type: Neutral
Formula: C14H18Cl3NOS
SMILES:   ClC(Cl)(Cl)C(Sc1ccccc1)NC(=O)CCCCC
InChI:   InChI=1/C14H18Cl3NOS/c1-2-3-5-10-12(19)18-13(14(15,16)17)20-11-8-6-4-7-9-11/h4,6-9,13H,2-3,5,10H2,1H3,(H,18,19)/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=58.8498 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.729 g/mol  logS: -6.62213  SlogP: 5.5914  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.067238  Sterimol/B1: 3.33405  Sterimol/B2: 4.0049  Sterimol/B3: 4.47352
  Sterimol/B4: 7.38198  Sterimol/L: 15.0697 
 
 Surface and Volume Properties
  Accessible surface: 589.839  Positive charged surface: 282.389  Negative charged surface: 307.45  Volume: 310.5
  Hydrophobic surface: 363.104  Hydrophilic surface: 226.735
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.