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ENAMINE-ZINC04563058

 MMsINC code: MMs01547457
Type: Neutral
Formula: C24H25NO5
SMILES:   O(C(=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1)CC(=O)N1CC(CC(C1)C)C
InChI:   InChI=1/C24H25NO5/c1-16-12-17(2)14-25(13-16)21(26)15-30-24(29)20-10-8-19(9-11-20)23(28)22(27)18-6-4-3-5-7-18/h3-11,16-17H,12-15H2,1-2H3/t16-,17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.366 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.466 g/mol  logS: -5.39504  SlogP: 3.4135  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0422157  Sterimol/B1: 3.26842  Sterimol/B2: 4.03038  Sterimol/B3: 5.20451
  Sterimol/B4: 6.26059  Sterimol/L: 19.4543 
 
 Surface and Volume Properties
  Accessible surface: 709.988  Positive charged surface: 422.013  Negative charged surface: 287.974  Volume: 396.125
  Hydrophobic surface: 540.44  Hydrophilic surface: 169.548
 
 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.