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CHEMDIV-ZINC01214870

 MMsINC code: MMs00864419
Type: Neutral
Formula: C25H28N2O3S
SMILES:   S(=O)(=O)(N(Cc1ccc(cc1)C(=O)NC(C)c1ccccc1)c1cc(C)c(cc1)C)C
InChI:   InChI=1/C25H28N2O3S/c1-18-10-15-24(16-19(18)2)27(31(4,29)30)17-21-11-13-23(14-12-21)25(28)26-20(3)22-8-6-5-7-9-22/h5-16,20H,17H2,1-4H3,(H,26,28)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.9018 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 436.576 g/mol  logS: -6.25542  SlogP: 5.12254  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0760308  Sterimol/B1: 1.969  Sterimol/B2: 3.23855  Sterimol/B3: 4.57248
  Sterimol/B4: 9.67588  Sterimol/L: 17.093 
 
 Surface and Volume Properties
  Accessible surface: 738.329  Positive charged surface: 421.791  Negative charged surface: 316.537  Volume: 426.75
  Hydrophobic surface: 631.36  Hydrophilic surface: 106.969
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.