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ENAMINE-ZINC03367086

 MMsINC code: MMs01399285
Type: Neutral
Formula: C23H23NO5
SMILES:   O=C1N(CCc2ccccc2)C(=O)c2c1cc(cc2)C(OCC(=O)C(C)(C)C)=O
InChI:   InChI=1/C23H23NO5/c1-23(2,3)19(25)14-29-22(28)16-9-10-17-18(13-16)21(27)24(20(17)26)12-11-15-7-5-4-6-8-15/h4-10,13H,11-12,14H2,1-3H3

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Potential Energy
Epot(MMFF94)=75.8938 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.439 g/mol  logS: -5.08985  SlogP: 3.29727  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0167692  Sterimol/B1: 3.25288  Sterimol/B2: 3.45856  Sterimol/B3: 3.76874
  Sterimol/B4: 5.20231  Sterimol/L: 23.1746 
 
 Surface and Volume Properties
  Accessible surface: 692.887  Positive charged surface: 398.753  Negative charged surface: 294.133  Volume: 379.75
  Hydrophobic surface: 497.529  Hydrophilic surface: 195.358
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.