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PUBCHEM-ZINC06169318

 MMsINC code: MMs03577699
Type: Neutral
Formula: C24H24N2O3
SMILES:   OCC(NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)N(Cc1ccccc1)C
InChI:   InChI=1/C24H24N2O3/c1-26(16-18-8-4-2-5-9-18)24(29)22(17-27)25-23(28)21-14-12-20(13-15-21)19-10-6-3-7-11-19/h2-15,22,27H,16-17H2,1H3,(H,25,28)/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=122.9 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.467 g/mol  logS: -5.58933  SlogP: 3.3693  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0575158  Sterimol/B1: 3.21653  Sterimol/B2: 3.76681  Sterimol/B3: 3.90693
  Sterimol/B4: 7.76011  Sterimol/L: 20.3086 
 
 Surface and Volume Properties
  Accessible surface: 684.117  Positive charged surface: 395.481  Negative charged surface: 278.125  Volume: 386.125
  Hydrophobic surface: 579.279  Hydrophilic surface: 104.838
 
 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.