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ENAMINE-ZINC01518664

 MMsINC code: MMs01242636
Type: Neutral
Formula: C20H16N2O3S2
SMILES:   s1c2cc(S(=O)(=O)C)ccc2nc1NC(=O)Cc1c2c(ccc1)cccc2
InChI:   InChI=1/C20H16N2O3S2/c1-27(24,25)15-9-10-17-18(12-15)26-20(21-17)22-19(23)11-14-7-4-6-13-5-2-3-8-16(13)14/h2-10,12H,11H2,1H3,(H,21,22,23)

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Potential Energy
Epot(MMFF94)=87.3071 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.491 g/mol  logS: -6.72176  SlogP: 4.03417  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0825603  Sterimol/B1: 3.50449  Sterimol/B2: 4.19586  Sterimol/B3: 5.14161
  Sterimol/B4: 5.17631  Sterimol/L: 18.2711 
 
 Surface and Volume Properties
  Accessible surface: 630.298  Positive charged surface: 314.416  Negative charged surface: 307.484  Volume: 344.125
  Hydrophobic surface: 497.923  Hydrophilic surface: 132.375
 
 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.