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ENAMINE-ZINC03482460

 MMsINC code: MMs01466819
Type: Neutral
Formula: C24H24N2O5
SMILES:   O=C1N(C(=O)c2c1cccc2)c1cc(ccc1)C(OCC(=O)N1CC(CC(C1)C)C)=O
InChI:   InChI=1/C24H24N2O5/c1-15-10-16(2)13-25(12-15)21(27)14-31-24(30)17-6-5-7-18(11-17)26-22(28)19-8-3-4-9-20(19)23(26)29/h3-9,11,15-16H,10,12-14H2,1-2H3/t15-,16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.832 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.465 g/mol  logS: -5.36459  SlogP: 3.1485  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0183621  Sterimol/B1: 2.04679  Sterimol/B2: 3.40777  Sterimol/B3: 3.77943
  Sterimol/B4: 8.66917  Sterimol/L: 21.2877 
 
 Surface and Volume Properties
  Accessible surface: 706.059  Positive charged surface: 432.078  Negative charged surface: 273.981  Volume: 395.375
  Hydrophobic surface: 527.611  Hydrophilic surface: 178.448
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.