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ENAMINE-ZINC03328635

 MMsINC code: MMs01375171
Type: Neutral
Formula: C26H24N4O4S
SMILES:   S(=O)(=O)(N1CCc2c1cccc2)c1cc(ccc1)C(=O)NC=1C(=O)N(N(C)C=1C)c
1ccccc1
InChI:   InChI=1/C26H24N4O4S/c1-18-24(26(32)30(28(18)2)21-11-4-3-5-12-21)27-25(31)20-10-8-13-22(17-20)35(33,34)29-16-15-19-9-6-7-14-23(19)29/h3-14,17H,15-16H2,1-2H3,(H,27,31)

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Potential Energy
Epot(MMFF94)=168.876 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 488.568 g/mol  logS: -5.90873  SlogP: 3.29287  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0710127  Sterimol/B1: 2.33448  Sterimol/B2: 3.22916  Sterimol/B3: 5.70704
  Sterimol/B4: 8.50114  Sterimol/L: 21.6381 
 
 Surface and Volume Properties
  Accessible surface: 765.348  Positive charged surface: 431.044  Negative charged surface: 334.304  Volume: 446
  Hydrophobic surface: 645.366  Hydrophilic surface: 119.982
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.