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ENAMINE-ZINC03371846

 MMsINC code: MMs01402322
Type: Neutral
Formula: C23H24N2O5
SMILES:   O=C1N(Cc2ccccc2)C(=O)c2c1cc(cc2)C(OCC(=O)NCCC(C)C)=O
InChI:   InChI=1/C23H24N2O5/c1-15(2)10-11-24-20(26)14-30-23(29)17-8-9-18-19(12-17)22(28)25(21(18)27)13-16-6-4-3-5-7-16/h3-9,12,15H,10-11,13-14H2,1-2H3,(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.047 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.454 g/mol  logS: -5.81635  SlogP: 3.0683  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0303649  Sterimol/B1: 3.53572  Sterimol/B2: 3.8533  Sterimol/B3: 4.47326
  Sterimol/B4: 4.90263  Sterimol/L: 23.3134 
 
 Surface and Volume Properties
  Accessible surface: 721.18  Positive charged surface: 450.001  Negative charged surface: 271.179  Volume: 388.875
  Hydrophobic surface: 514.208  Hydrophilic surface: 206.972
 
 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.