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CHEMDIV-ZINC06817845

MMsINC code: MMs01041377

Type: Neutral
Formula: C14H18N4O4S2
SMILES:   s1c(nnc1S(=O)(=O)N(CC)CC)NC(=O)c1ccccc1OC
InChI:   InChI=1/C14H18N4O4S2/c1-4-18(5-2)24(20,21)14-17-16-13(23-14)15-12(19)10-8-6-7-9-11(10)22-3/h6-9H,4-5H2,1-3H3,(H,15,16,19)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=81.0084 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.454 g/mol  logS: -4.51318  SlogP: 1.8295  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0404807  Sterimol/B1: 2.29744  Sterimol/B2: 2.9618  Sterimol/B3: 5.48313
  Sterimol/B4: 7.01806  Sterimol/L: 17.5815 
 
 Surface and Volume Properties
  Accessible surface: 591.605  Positive charged surface: 354.621  Negative charged surface: 236.983  Volume: 316.75
  Hydrophobic surface: 403.222  Hydrophilic surface: 188.383
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.