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ENAMINE-ZINC04827734

 MMsINC code: MMs01553903
Type: Neutral
Formula: C24H27NO5
SMILES:   O(C(=O)C)c1ccc(cc1)-c1ccc(cc1)C(OCC(=O)N1C(CCCC1C)C)=O
InChI:   InChI=1/C24H27NO5/c1-16-5-4-6-17(2)25(16)23(27)15-29-24(28)21-9-7-19(8-10-21)20-11-13-22(14-12-20)30-18(3)26/h7-14,16-17H,4-6,15H2,1-3H3/t16-,17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=135.325 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.482 g/mol  logS: -6.02166  SlogP: 4.2252  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0186417  Sterimol/B1: 2.22413  Sterimol/B2: 3.81494  Sterimol/B3: 5.16181
  Sterimol/B4: 6.128  Sterimol/L: 23.1789 
 
 Surface and Volume Properties
  Accessible surface: 713.566  Positive charged surface: 427.709  Negative charged surface: 275.635  Volume: 400.625
  Hydrophobic surface: 578.214  Hydrophilic surface: 135.352
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.