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ENAMINE-ZINC00703424

 MMsINC code: MMs01235097
Type: Neutral
Formula: C15H10Cl4O4S2
SMILES:   ClC1(Cl)C(COC(=O)c2sc(Cl)cc2)C1COC(=O)c1sc(Cl)cc1
InChI:   InChI=1/C15H10Cl4O4S2/c16-11-3-1-9(24-11)13(20)22-5-7-8(15(7,18)19)6-23-14(21)10-2-4-12(17)25-10/h1-4,7-8H,5-6H2/t7-,8+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.6594 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 460.185 g/mol  logS: -7.53514  SlogP: 5.97  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0182404  Sterimol/B1: 2.49224  Sterimol/B2: 2.84273  Sterimol/B3: 4.45397
  Sterimol/B4: 7.64632  Sterimol/L: 22.1503 
 
 Surface and Volume Properties
  Accessible surface: 677.736  Positive charged surface: 182.457  Negative charged surface: 495.279  Volume: 348
  Hydrophobic surface: 475.706  Hydrophilic surface: 202.03
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.