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CHEMDIV-ZINC06454260

 MMsINC code: MMs00998697
Type: Neutral
Formula: C19H15N3O3S2
SMILES:   s1c2cc(NC(=O)c3cc(N4C(=O)CCC4=O)ccc3)ccc2nc1SC
InChI:   InChI=1/C19H15N3O3S2/c1-26-19-21-14-6-5-12(10-15(14)27-19)20-18(25)11-3-2-4-13(9-11)22-16(23)7-8-17(22)24/h2-6,9-10H,7-8H2,1H3,(H,20,25)

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Potential Energy
Epot(MMFF94)=78.5303 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.479 g/mol  logS: -6.05921  SlogP: 3.9239  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0211363  Sterimol/B1: 3.41251  Sterimol/B2: 3.53725  Sterimol/B3: 3.72756
  Sterimol/B4: 6.61385  Sterimol/L: 20.7065 
 
 Surface and Volume Properties
  Accessible surface: 642.401  Positive charged surface: 323.775  Negative charged surface: 318.626  Volume: 345.5
  Hydrophobic surface: 459.827  Hydrophilic surface: 182.574
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.