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ENAMINE-ZINC03372025

 MMsINC code: MMs01402427
Type: Neutral
Formula: C23H22N2O5
SMILES:   O=C1N(Cc2ccccc2)C(=O)c2c1cc(cc2)C(OCC(=O)N1CCCCC1)=O
InChI:   InChI=1/C23H22N2O5/c26-20(24-11-5-2-6-12-24)15-30-23(29)17-9-10-18-19(13-17)22(28)25(21(18)27)14-16-7-3-1-4-8-16/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2

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Potential Energy
Epot(MMFF94)=65.0481 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.438 g/mol  logS: -4.90509  SlogP: 2.9185  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0347913  Sterimol/B1: 2.40743  Sterimol/B2: 3.56046  Sterimol/B3: 5.10462
  Sterimol/B4: 5.80556  Sterimol/L: 21.218 
 
 Surface and Volume Properties
  Accessible surface: 686.806  Positive charged surface: 429.839  Negative charged surface: 256.967  Volume: 378.375
  Hydrophobic surface: 538.354  Hydrophilic surface: 148.452
 
 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.