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MAYBRIDGE-ZINC04343794

 MMsINC code: MMs02169522
Type: Neutral
Formula: C25H37NO4
SMILES:   O(C(=O)C1CCCCC1)c1ccc(cc1OC)CCC(NC(=O)C1CCCCC1)C
InChI:   InChI=1/C25H37NO4/c1-18(26-24(27)20-9-5-3-6-10-20)13-14-19-15-16-22(23(17-19)29-2)30-25(28)21-11-7-4-8-12-21/h15-18,20-21H,3-14H2,1-2H3,(H,26,27)/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.5013 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.574 g/mol  logS: -6.22704  SlogP: 5.19847  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0389891  Sterimol/B1: 2.41331  Sterimol/B2: 2.41905  Sterimol/B3: 5.51679
  Sterimol/B4: 8.38353  Sterimol/L: 21.81 
 
 Surface and Volume Properties
  Accessible surface: 760.973  Positive charged surface: 580.952  Negative charged surface: 180.022  Volume: 431.125
  Hydrophobic surface: 682.864  Hydrophilic surface: 78.109
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.