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NCID-ZINC01616683

 MMsINC code: MMs02266100
Type: Neutral
Formula: C14H18Cl6N2OS
SMILES:   ClC(Cl)(Cl)C(CC(N(C(=O)CC(C(Cl)(Cl)Cl)C)C)c1sccn1)C
InChI:   InChI=1/C14H18Cl6N2OS/c1-8(13(15,16)17)6-10(12-21-4-5-24-12)22(3)11(23)7-9(2)14(18,19)20/h4-5,8-10H,6-7H2,1-3H3/t8-,9+,10+/m1/s1

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Potential Energy
Epot(MMFF94)=96.1593 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 475.095 g/mol  logS: -5.83276  SlogP: 7.3707  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169412  Sterimol/B1: 3.26095  Sterimol/B2: 3.79195  Sterimol/B3: 4.70157
  Sterimol/B4: 8.04657  Sterimol/L: 14.0367 
 
 Surface and Volume Properties
  Accessible surface: 617.762  Positive charged surface: 193.786  Negative charged surface: 423.976  Volume: 368.125
  Hydrophobic surface: 246.174  Hydrophilic surface: 371.588
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.