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ENAMINE-ZINC03599317

 MMsINC code: MMs01520810
Type: Neutral
Formula: C23H26N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC(C)(C)C)C(=O)NC1(Cc1ccccc1)c1ccccc1
InChI:   InChI=1/C23H26N4O4/c1-22(2,3)25-20(30)24-18(28)15-27-19(29)23(26-21(27)31,17-12-8-5-9-13-17)14-16-10-6-4-7-11-16/h4-13H,14-15H2,1-3H3,(H,26,31)(H2,24,25,28,30)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.0191 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.485 g/mol  logS: -5.01449  SlogP: 2.61217  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0793248  Sterimol/B1: 3.7076  Sterimol/B2: 4.56238  Sterimol/B3: 4.88091
  Sterimol/B4: 5.21573  Sterimol/L: 18.8447 
 
 Surface and Volume Properties
  Accessible surface: 660.3  Positive charged surface: 408.827  Negative charged surface: 251.473  Volume: 401.5
  Hydrophobic surface: 480.095  Hydrophilic surface: 180.205
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.