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ENAMINE-ZINC03418603

 MMsINC code: MMs01430503
Type: Neutral
Formula: C24H23NO4
SMILES:   O(C(C(=O)Nc1cc(ccc1C)C)c1ccccc1)C(=O)c1ccc(cc1)CO
InChI:   InChI=1/C24H23NO4/c1-16-8-9-17(2)21(14-16)25-23(27)22(19-6-4-3-5-7-19)29-24(28)20-12-10-18(15-26)11-13-20/h3-14,22,26H,15H2,1-2H3,(H,25,27)/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.309 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.451 g/mol  logS: -5.93635  SlogP: 4.69444  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116454  Sterimol/B1: 2.38837  Sterimol/B2: 3.39146  Sterimol/B3: 6.24105
  Sterimol/B4: 10.1183  Sterimol/L: 18.421 
 
 Surface and Volume Properties
  Accessible surface: 698.865  Positive charged surface: 413.633  Negative charged surface: 285.232  Volume: 382.5
  Hydrophobic surface: 585.047  Hydrophilic surface: 113.818
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.