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CHEMDIV-ZINC06750640

 MMsINC code: MMs01013437
Type: Neutral
Formula: C23H17N3O3S
SMILES:   s1c2c(n3c(c2)C(=O)N(C(=O)C3)c2ccc(cc2)C(=O)NCc2ccccc2)cc1
InChI:   InChI=1/C23H17N3O3S/c27-21-14-25-18-10-11-30-20(18)12-19(25)23(29)26(21)17-8-6-16(7-9-17)22(28)24-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,24,28)

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Potential Energy
Epot(MMFF94)=96.3893 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.473 g/mol  logS: -5.65844  SlogP: 4.3526  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0521738  Sterimol/B1: 2.36747  Sterimol/B2: 3.79053  Sterimol/B3: 4.71532
  Sterimol/B4: 7.19215  Sterimol/L: 21.0987 
 
 Surface and Volume Properties
  Accessible surface: 682.423  Positive charged surface: 340.19  Negative charged surface: 342.233  Volume: 374.875
  Hydrophobic surface: 563.161  Hydrophilic surface: 119.262
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.