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IFLAB-ZINC03069372

 MMsINC code: MMs02005004
Type: Neutral
Formula: C19H12N2O3S2
SMILES:   S1\C(=C\2/c3c(NC/2=O)cccc3)\C(=O)N(c2ccc(cc2)C(=O)C)C1=S
InChI:   InChI=1/C19H12N2O3S2/c1-10(22)11-6-8-12(9-7-11)21-18(24)16(26-19(21)25)15-13-4-2-3-5-14(13)20-17(15)23/h2-9H,1H3,(H,20,23)/b16-15-

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Potential Energy
Epot(MMFF94)=117.81 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.448 g/mol  logS: -6.7346  SlogP: 3.6173  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0472413  Sterimol/B1: 2.86525  Sterimol/B2: 3.67451  Sterimol/B3: 4.59141
  Sterimol/B4: 7.72971  Sterimol/L: 16.955 
 
 Surface and Volume Properties
  Accessible surface: 583.283  Positive charged surface: 273.11  Negative charged surface: 310.173  Volume: 325.125
  Hydrophobic surface: 351.712  Hydrophilic surface: 231.571
 
 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.