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ENAMINE-ZINC03246079

 MMsINC code: MMs01327722
Type: Neutral
Formula: C18H24N2O4S2
SMILES:   S(=O)(=O)(NNS(=O)(=O)c1ccc(cc1)C(C)C)c1ccc(cc1)C(C)C
InChI:   InChI=1/C18H24N2O4S2/c1-13(2)15-5-9-17(10-6-15)25(21,22)19-20-26(23,24)18-11-7-16(8-12-18)14(3)4/h5-14,19-20H,1-4H3

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Potential Energy
Epot(MMFF94)=89.2387 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.532 g/mol  logS: -6.5411  SlogP: 3.1052  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0755552  Sterimol/B1: 3.587  Sterimol/B2: 4.57983  Sterimol/B3: 4.88568
  Sterimol/B4: 5.25578  Sterimol/L: 19.6558 
 
 Surface and Volume Properties
  Accessible surface: 657.689  Positive charged surface: 362.264  Negative charged surface: 295.425  Volume: 358.25
  Hydrophobic surface: 430.774  Hydrophilic surface: 226.915
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.