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CHEMBLOCK-ZINC04189474

 MMsINC code: MMs00546260
Type: Neutral
Formula: C24H28N2O4
SMILES:   O(Cc1ccccc1)c1cc(ccc1)C1NC(=O)NC(C)=C1C(OCCCCC)=O
InChI:   InChI=1/C24H28N2O4/c1-3-4-8-14-29-23(27)21-17(2)25-24(28)26-22(21)19-12-9-13-20(15-19)30-16-18-10-6-5-7-11-18/h5-7,9-13,15,22H,3-4,8,14,16H2,1-2H3,(H2,25,26,28)/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.1971 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.498 g/mol  logS: -5.89526  SlogP: 4.9888  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0670498  Sterimol/B1: 2.35625  Sterimol/B2: 3.63202  Sterimol/B3: 3.92218
  Sterimol/B4: 9.21209  Sterimol/L: 16.9886 
 
 Surface and Volume Properties
  Accessible surface: 668.124  Positive charged surface: 431.329  Negative charged surface: 236.795  Volume: 406.25
  Hydrophobic surface: 524.028  Hydrophilic surface: 144.096
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.