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OTAVA-ZINC01936239

 MMsINC code: MMs02570306
Type: Neutral
Formula: C24H26N2O5
SMILES:   O=C1N(CCCC(OCC(=O)Nc2ccc(cc2)CCCC)=O)C(=O)c2c1cccc2
InChI:   InChI=1/C24H26N2O5/c1-2-3-7-17-11-13-18(14-12-17)25-21(27)16-31-22(28)10-6-15-26-23(29)19-8-4-5-9-20(19)24(26)30/h4-5,8-9,11-14H,2-3,6-7,10,15-16H2,1H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.8525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.481 g/mol  logS: -6.4426  SlogP: 3.58727  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0190184  Sterimol/B1: 2.50517  Sterimol/B2: 2.85348  Sterimol/B3: 4.71718
  Sterimol/B4: 5.72315  Sterimol/L: 26.9373 
 
 Surface and Volume Properties
  Accessible surface: 773.248  Positive charged surface: 490.989  Negative charged surface: 282.258  Volume: 406
  Hydrophobic surface: 585.543  Hydrophilic surface: 187.705
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.