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NCID-ZINC01606756

 MMsINC code: MMs02258622
Type: Neutral
Formula: C11H20Cl2N2O2S
SMILES:   ClCCN(C(=O)C(NC(=O)C)CCSC)CCCl
InChI:   InChI=1/C11H20Cl2N2O2S/c1-9(16)14-10(3-8-18-2)11(17)15(6-4-12)7-5-13/h10H,3-8H2,1-2H3,(H,14,16)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=62.9631 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.265 g/mol  logS: -2.56126  SlogP: 1.5504  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.203825  Sterimol/B1: 2.18278  Sterimol/B2: 3.964  Sterimol/B3: 4.86529
  Sterimol/B4: 9.17309  Sterimol/L: 14.0842 
 
 Surface and Volume Properties
  Accessible surface: 550.189  Positive charged surface: 285.222  Negative charged surface: 264.967  Volume: 282.625
  Hydrophobic surface: 313.175  Hydrophilic surface: 237.014
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.