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OTAVA-ZINC01926139

 MMsINC code: MMs02568136
Type: Neutral
Formula: C24H24N2O4
SMILES:   O(C(C(=O)Nc1ccc(OC)cc1)C)c1ccc(cc1)C(=O)NCc1ccccc1
InChI:   InChI=1/C24H24N2O4/c1-17(23(27)26-20-10-14-21(29-2)15-11-20)30-22-12-8-19(9-13-22)24(28)25-16-18-6-4-3-5-7-18/h3-15,17H,16H2,1-2H3,(H,25,28)(H,26,27)/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=117.513 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.466 g/mol  logS: -5.72331  SlogP: 4.2976  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0221799  Sterimol/B1: 2.09632  Sterimol/B2: 2.66729  Sterimol/B3: 4.67089
  Sterimol/B4: 7.0693  Sterimol/L: 24.1142 
 
 Surface and Volume Properties
  Accessible surface: 742.751  Positive charged surface: 452.046  Negative charged surface: 290.704  Volume: 396.125
  Hydrophobic surface: 621.631  Hydrophilic surface: 121.12
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.