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CHEMDIV-ZINC05151325

 MMsINC code: MMs00993073
Type: Neutral
Formula: C18H19N3O3S2
SMILES:   s1c2cc(S(=O)(=O)NCC(=O)NC(C)c3ccccc3)ccc2nc1C
InChI:   InChI=1/C18H19N3O3S2/c1-12(14-6-4-3-5-7-14)20-18(22)11-19-26(23,24)15-8-9-16-17(10-15)25-13(2)21-16/h3-10,12,19H,11H2,1-2H3,(H,20,22)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=45.0823 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.5 g/mol  logS: -4.16794  SlogP: 2.85592  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0627716  Sterimol/B1: 2.26957  Sterimol/B2: 3.60157  Sterimol/B3: 3.99047
  Sterimol/B4: 9.59712  Sterimol/L: 16.8844 
 
 Surface and Volume Properties
  Accessible surface: 650.756  Positive charged surface: 342.494  Negative charged surface: 308.262  Volume: 345.625
  Hydrophobic surface: 485.32  Hydrophilic surface: 165.436
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.