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CHEMDIV-ZINC06894337

 MMsINC code: MMs01055939
Type: Neutral
Formula: C16H25N3O4S2
SMILES:   s1cccc1CCNC(=O)C1CCCN(S(=O)(=O)N2CCOCC2)C1
InChI:   InChI=1/C16H25N3O4S2/c20-16(17-6-5-15-4-2-12-24-15)14-3-1-7-19(13-14)25(21,22)18-8-10-23-11-9-18/h2,4,12,14H,1,3,5-11,13H2,(H,17,20)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=17.5469 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.525 g/mol  logS: -1.6564  SlogP: 0.69577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0354913  Sterimol/B1: 2.355  Sterimol/B2: 4.00844  Sterimol/B3: 4.73365
  Sterimol/B4: 6.46496  Sterimol/L: 19.8385 
 
 Surface and Volume Properties
  Accessible surface: 641.196  Positive charged surface: 438.387  Negative charged surface: 202.81  Volume: 348.75
  Hydrophobic surface: 539.845  Hydrophilic surface: 101.351
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.