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ASINEX-ZINC01329354

 MMsINC code: MMs00236625
Type: Neutral
Formula: C24H34N2O4S2
SMILES:   S(=O)(=O)(N1CC(CCC1)C)c1ccc(S(=O)(=O)N(Cc2ccc(cc2)C)C(CC)C)c
c1
InChI:   InChI=1/C24H34N2O4S2/c1-5-21(4)26(18-22-10-8-19(2)9-11-22)32(29,30)24-14-12-23(13-15-24)31(27,28)25-16-6-7-20(3)17-25/h8-15,20-21H,5-7,16-18H2,1-4H3/t20-,21+/m1/s1

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Potential Energy
Epot(MMFF94)=66.0605 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 478.678 g/mol  logS: -5.26593  SlogP: 4.67142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0582709  Sterimol/B1: 2.26004  Sterimol/B2: 3.78692  Sterimol/B3: 4.93292
  Sterimol/B4: 8.41641  Sterimol/L: 19.192 
 
 Surface and Volume Properties
  Accessible surface: 719.01  Positive charged surface: 450.218  Negative charged surface: 268.791  Volume: 452.125
  Hydrophobic surface: 562.365  Hydrophilic surface: 156.645
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.