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OTAVA-ZINC04291027

 MMsINC code: MMs02583458
Type: Neutral
Formula: C24H30N2O7
SMILES:   O(C)c1c(OC)cc(cc1OC)C(=O)NCC(OCC(=O)Nc1ccc(cc1)CCCC)=O
InChI:   InChI=1/C24H30N2O7/c1-5-6-7-16-8-10-18(11-9-16)26-21(27)15-33-22(28)14-25-24(29)17-12-19(30-2)23(32-4)20(13-17)31-3/h8-13H,5-7,14-15H2,1-4H3,(H,25,29)(H,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=131.795 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 458.511 g/mol  logS: -6.10633  SlogP: 2.96667  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0126776  Sterimol/B1: 2.38916  Sterimol/B2: 4.89513  Sterimol/B3: 5.04637
  Sterimol/B4: 6.03845  Sterimol/L: 27.2631 
 
 Surface and Volume Properties
  Accessible surface: 838.383  Positive charged surface: 626.299  Negative charged surface: 212.084  Volume: 439.875
  Hydrophobic surface: 658.145  Hydrophilic surface: 180.238
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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: 0
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Ions/Tautomers related molecules: no related molecules available.