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ASINEX-ZINC04999135

 MMsINC code: MMs00428086
Type: Neutral
Formula: C17H26N2O4S2
SMILES:   S(C)c1ccc(S(=O)(=O)N2CCC(CC2)C(=O)NC(COC)C)cc1
InChI:   InChI=1/C17H26N2O4S2/c1-13(12-23-2)18-17(20)14-8-10-19(11-9-14)25(21,22)16-6-4-15(24-3)5-7-16/h4-7,13-14H,8-12H2,1-3H3,(H,18,20)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=41.1895 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.537 g/mol  logS: -3.27112  SlogP: 1.9603  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116437  Sterimol/B1: 3.54064  Sterimol/B2: 4.19084  Sterimol/B3: 4.57286
  Sterimol/B4: 7.55986  Sterimol/L: 17.0218 
 
 Surface and Volume Properties
  Accessible surface: 644.366  Positive charged surface: 430.645  Negative charged surface: 213.721  Volume: 358.375
  Hydrophobic surface: 492.651  Hydrophilic surface: 151.715
 
 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.