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ENAMINE-ZINC03578971

 MMsINC code: MMs01516689
Type: Neutral
Formula: C28H25FN2O3S
SMILES:   S(=O)(=O)(N(Cc1ccccc1)CC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1F
InChI:   InChI=1/C28H25FN2O3S/c29-25-18-10-11-19-26(25)35(33,34)31(20-22-12-4-1-5-13-22)21-27(32)30-28(23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-19,28H,20-21H2,(H,30,32)

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Potential Energy
Epot(MMFF94)=89.5529 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 488.583 g/mol  logS: -7.06969  SlogP: 5.2843  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.21592  Sterimol/B1: 2.774  Sterimol/B2: 3.98815  Sterimol/B3: 6.61121
  Sterimol/B4: 10.9701  Sterimol/L: 16.8046 
 
 Surface and Volume Properties
  Accessible surface: 745.22  Positive charged surface: 395.745  Negative charged surface: 349.475  Volume: 456.375
  Hydrophobic surface: 679.804  Hydrophilic surface: 65.416
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.