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ENAMINE-ZINC05937805

 MMsINC code: MMs01646821
Type: Neutral
Formula: C24H25N3O4
SMILES:   O1CCOc2c1cc(cc2)C1(NC(=O)N(CN2CCC(=CC2)c2ccccc2)C1=O)C
InChI:   InChI=1/C24H25N3O4/c1-24(19-7-8-20-21(15-19)31-14-13-30-20)22(28)27(23(29)25-24)16-26-11-9-18(10-12-26)17-5-3-2-4-6-17/h2-9,15H,10-14,16H2,1H3,(H,25,29)/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.569 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.481 g/mol  logS: -4.29666  SlogP: 3.2831  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0583576  Sterimol/B1: 2.19722  Sterimol/B2: 3.57995  Sterimol/B3: 4.93856
  Sterimol/B4: 6.50013  Sterimol/L: 21.811 
 
 Surface and Volume Properties
  Accessible surface: 692.292  Positive charged surface: 468.817  Negative charged surface: 223.475  Volume: 396
  Hydrophobic surface: 562.822  Hydrophilic surface: 129.47
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.