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ENAMINE-ZINC03285826

 MMsINC code: MMs01350497
Type: Neutral
Formula: C24H28N2O3
SMILES:   O(C)c1ccc(cc1)CNC(=O)C1CCCCC1C(=O)N1CCc2c1cccc2
InChI:   InChI=1/C24H28N2O3/c1-29-19-12-10-17(11-13-19)16-25-23(27)20-7-3-4-8-21(20)24(28)26-15-14-18-6-2-5-9-22(18)26/h2,5-6,9-13,20-21H,3-4,7-8,14-16H2,1H3,(H,25,27)/t20-,21+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.8993 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.499 g/mol  logS: -4.75148  SlogP: 3.97347  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.032806  Sterimol/B1: 3.25695  Sterimol/B2: 3.61845  Sterimol/B3: 5.47039
  Sterimol/B4: 6.30777  Sterimol/L: 20.5101 
 
 Surface and Volume Properties
  Accessible surface: 677.606  Positive charged surface: 475.13  Negative charged surface: 202.476  Volume: 389.625
  Hydrophobic surface: 627.28  Hydrophilic surface: 50.326
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.