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MAYBRIDGE-ZINC04343792

 MMsINC code: MMs02169521
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-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.7635 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: 0.0447986  Sterimol/B1: 2.06259  Sterimol/B2: 3.51083  Sterimol/B3: 6.23846
  Sterimol/B4: 6.35185  Sterimol/L: 22.4489 
 
 Surface and Volume Properties
  Accessible surface: 758.261  Positive charged surface: 587.249  Negative charged surface: 171.012  Volume: 433
  Hydrophobic surface: 683.307  Hydrophilic surface: 74.954
 
 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.