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ENAMINE-ZINC07159521

 MMsINC code: MMs01723798
Type: Neutral
Formula: C16H24N2O5S2
SMILES:   S(=O)(=O)(N(CC(=O)NC1CCS(=O)(=O)C1)CC)c1ccc(cc1C)C
InChI:   InChI=1/C16H24N2O5S2/c1-4-18(10-16(19)17-14-7-8-24(20,21)11-14)25(22,23)15-6-5-12(2)9-13(15)3/h5-6,9,14H,4,7-8,10-11H2,1-3H3,(H,17,19)/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=69.1839 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.509 g/mol  logS: -2.89439  SlogP: 0.61734  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0765325  Sterimol/B1: 2.39363  Sterimol/B2: 2.51311  Sterimol/B3: 5.58383
  Sterimol/B4: 6.5009  Sterimol/L: 18.1432 
 
 Surface and Volume Properties
  Accessible surface: 612.976  Positive charged surface: 357.699  Negative charged surface: 255.276  Volume: 343.5
  Hydrophobic surface: 433.143  Hydrophilic surface: 179.833
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.