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ENAMINE-ZINC02663285

 MMsINC code: MMs01283653
Type: Neutral
Formula: C23H22N2O5
SMILES:   O=C1N(Cc2cc(ccc2)C(OCC(=O)NC2CCCC2)=O)C(=O)c2c1cccc2
InChI:   InChI=1/C23H22N2O5/c26-20(24-17-8-1-2-9-17)14-30-23(29)16-7-5-6-15(12-16)13-25-21(27)18-10-3-4-11-19(18)22(25)28/h3-7,10-12,17H,1-2,8-9,13-14H2,(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.9191 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.438 g/mol  logS: -5.21285  SlogP: 2.9648  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0401198  Sterimol/B1: 2.52033  Sterimol/B2: 3.19625  Sterimol/B3: 4.31728
  Sterimol/B4: 7.95659  Sterimol/L: 20.9142 
 
 Surface and Volume Properties
  Accessible surface: 712.682  Positive charged surface: 438.293  Negative charged surface: 274.389  Volume: 382.375
  Hydrophobic surface: 553.814  Hydrophilic surface: 158.868
 
 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.