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ENAMINE-ZINC02634841

 MMsINC code: MMs01264832
Type: Neutral
Formula: C24H30N2O5
SMILES:   O(C)c1ccc(cc1NC(=O)COC(=O)C(NC(=O)c1ccccc1C)CC(C)C)C
InChI:   InChI=1/C24H30N2O5/c1-15(2)12-20(26-23(28)18-9-7-6-8-17(18)4)24(29)31-14-22(27)25-19-13-16(3)10-11-21(19)30-5/h6-11,13,15,20H,12,14H2,1-5H3,(H,25,27)(H,26,28)/t20-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=136.451 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.513 g/mol  logS: -6.49325  SlogP: 3.63844  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0511488  Sterimol/B1: 2.16623  Sterimol/B2: 2.52282  Sterimol/B3: 6.60765
  Sterimol/B4: 8.32042  Sterimol/L: 20.4236 
 
 Surface and Volume Properties
  Accessible surface: 760.099  Positive charged surface: 514.792  Negative charged surface: 245.307  Volume: 424.375
  Hydrophobic surface: 632.583  Hydrophilic surface: 127.516
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.