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ASINEX-ZINC00933697

 MMsINC code: MMs00225976
Type: Neutral
Formula: C24H32N2O4S2
SMILES:   S(=O)(=O)(N1CCCCC1C)c1ccc(S(=O)(=O)N(Cc2ccccc2)C2CCCC2)cc1
InChI:   InChI=1/C24H32N2O4S2/c1-20-9-7-8-18-25(20)31(27,28)23-14-16-24(17-15-23)32(29,30)26(22-12-5-6-13-22)19-21-10-3-2-4-11-21/h2-4,10-11,14-17,20,22H,5-9,12-13,18-19H2,1H3/t20-/m0/s1

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Potential Energy
Epot(MMFF94)=116.42 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 476.662 g/mol  logS: -5.01718  SlogP: 4.6496  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0523491  Sterimol/B1: 2.74229  Sterimol/B2: 3.8422  Sterimol/B3: 5.76263
  Sterimol/B4: 6.60073  Sterimol/L: 19.6719 
 
 Surface and Volume Properties
  Accessible surface: 699.86  Positive charged surface: 429.179  Negative charged surface: 270.681  Volume: 439.75
  Hydrophobic surface: 591.802  Hydrophilic surface: 108.058
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.