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ENAMINE-ZINC03351518

 MMsINC code: MMs01389934
Type: Neutral
Formula: C18H21N3O4S
SMILES:   S(=O)(=O)(N)c1ccc(cc1)CNC(=O)CNC(=O)c1cc(cc(c1)C)C
InChI:   InChI=1/C18H21N3O4S/c1-12-7-13(2)9-15(8-12)18(23)21-11-17(22)20-10-14-3-5-16(6-4-14)26(19,24)25/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)(H2,19,24,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.2926 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.449 g/mol  logS: -4.64593  SlogP: 1.26344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0213663  Sterimol/B1: 1.98233  Sterimol/B2: 3.61758  Sterimol/B3: 3.61853
  Sterimol/B4: 7.07129  Sterimol/L: 21.8539 
 
 Surface and Volume Properties
  Accessible surface: 667.296  Positive charged surface: 386.398  Negative charged surface: 280.898  Volume: 344
  Hydrophobic surface: 436.268  Hydrophilic surface: 231.028
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01389935
ENAMINE-ZINC03351518