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ASINEX-ZINC00670190

 MMsINC code: MMs00147427
Type: Neutral
Formula: C24H25N3O4S
SMILES:   S(=O)(=O)(N(Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N)c1cc(C)c(cc1)C
)C
InChI:   InChI=1/C24H25N3O4S/c1-16-4-13-22(14-17(16)2)27(32(3,30)31)15-18-5-7-20(8-6-18)24(29)26-21-11-9-19(10-12-21)23(25)28/h4-14H,15H2,1-3H3,(H2,25,28)(H,26,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.714 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 451.547 g/mol  logS: -6.23629  SlogP: 3.88724  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0645609  Sterimol/B1: 2.0781  Sterimol/B2: 3.60214  Sterimol/B3: 4.43517
  Sterimol/B4: 9.48213  Sterimol/L: 19.6672 
 
 Surface and Volume Properties
  Accessible surface: 729.466  Positive charged surface: 417.326  Negative charged surface: 312.14  Volume: 420.375
  Hydrophobic surface: 534.161  Hydrophilic surface: 195.305
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1
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Ions/Tautomers related molecules: no related molecules available.