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ENAMINE-ZINC03532867

 MMsINC code: MMs01494638
Type: Neutral
Formula: C25H26N2O3S
SMILES:   S(=O)(=O)(N1CCCCC1C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C25H26N2O3S/c28-25(26-24(20-12-4-1-5-13-20)21-14-6-2-7-15-21)23-18-10-11-19-27(23)31(29,30)22-16-8-3-9-17-22/h1-9,12-17,23-24H,10-11,18-19H2,(H,26,28)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.18 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 434.56 g/mol  logS: -5.76096  SlogP: 4.2311  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.324124  Sterimol/B1: 2.38303  Sterimol/B2: 5.89292  Sterimol/B3: 5.91007
  Sterimol/B4: 9.20607  Sterimol/L: 14.6378 
 
 Surface and Volume Properties
  Accessible surface: 681.189  Positive charged surface: 393.766  Negative charged surface: 287.423  Volume: 413.875
  Hydrophobic surface: 635.288  Hydrophilic surface: 45.901
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.