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ENAMINE-ZINC03314943

 MMsINC code: MMs01366310
Type: Neutral
Formula: C31H32N2O3S
SMILES:   S(=O)(=O)(N(Cc1ccc(cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1)c1cc(C)c(c
c1)C)C
InChI:   InChI=1/C31H32N2O3S/c1-24-14-19-30(20-25(24)2)33(37(3,35)36)23-28-15-17-29(18-16-28)31(34)32(21-26-10-6-4-7-11-26)22-27-12-8-5-9-13-27/h4-20H,21-23H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=129.328 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 512.674 g/mol  logS: -7.59012  SlogP: 6.91144  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.218558  Sterimol/B1: 2.23  Sterimol/B2: 4.06121  Sterimol/B3: 6.92354
  Sterimol/B4: 8.88498  Sterimol/L: 16.759 
 
 Surface and Volume Properties
  Accessible surface: 778.968  Positive charged surface: 446.747  Negative charged surface: 332.221  Volume: 508
  Hydrophobic surface: 695.749  Hydrophilic surface: 83.219
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.