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ENAMINE-ZINC03330255

 MMsINC code: MMs01376213
Type: Neutral
Formula: C25H30N4O4S
SMILES:   S(C(c1ccccc1)c1ccccc1)CC(=O)N(CCOC)C=1C(=O)NC(=O)N(CCC)C=1N
InChI:   InChI=1/C25H30N4O4S/c1-3-14-29-23(26)21(24(31)27-25(29)32)28(15-16-33-2)20(30)17-34-22(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,22H,3,14-17,26H2,1-2H3,(H,27,31,32)

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Potential Energy
Epot(MMFF94)=118.443 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 482.605 g/mol  logS: -5.68461  SlogP: 3.1693  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.092724  Sterimol/B1: 3.36325  Sterimol/B2: 3.42006  Sterimol/B3: 5.33381
  Sterimol/B4: 8.94431  Sterimol/L: 18.5888 
 
 Surface and Volume Properties
  Accessible surface: 750.658  Positive charged surface: 495.946  Negative charged surface: 254.712  Volume: 458.5
  Hydrophobic surface: 554.505  Hydrophilic surface: 196.153
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0
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Ions/Tautomers related molecules: no related molecules available.