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ENAMINE-ZINC05015386

 MMsINC code: MMs01574560
Type: Neutral
Formula: C24H26N2O4
SMILES:   O=C1Nc2c(N(C(=O)COC(=O)C3(CCCC3)c3ccccc3)C1(C)C)cccc2
InChI:   InChI=1/C24H26N2O4/c1-23(2)21(28)25-18-12-6-7-13-19(18)26(23)20(27)16-30-22(29)24(14-8-9-15-24)17-10-4-3-5-11-17/h3-7,10-13H,8-9,14-16H2,1-2H3,(H,25,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=228.232 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.482 g/mol  logS: -6.05581  SlogP: 3.8055  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129568  Sterimol/B1: 2.77608  Sterimol/B2: 3.04727  Sterimol/B3: 6.24079
  Sterimol/B4: 7.70181  Sterimol/L: 16.0751 
 
 Surface and Volume Properties
  Accessible surface: 654.123  Positive charged surface: 389.589  Negative charged surface: 264.534  Volume: 387.375
  Hydrophobic surface: 523.435  Hydrophilic surface: 130.688
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.