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CHEMBRIDGE-ZINC01862894

 MMsINC code: MMs00699263
Type: Neutral
Formula: C26H25NO4
SMILES:   O(C(C(=O)c1cc(C)c(cc1)C)c1ccccc1)C(=O)CNC(=O)Cc1ccccc1
InChI:   InChI=1/C26H25NO4/c1-18-13-14-22(15-19(18)2)25(30)26(21-11-7-4-8-12-21)31-24(29)17-27-23(28)16-20-9-5-3-6-10-20/h3-15,26H,16-17H2,1-2H3,(H,27,28)/t26-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=122.073 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.489 g/mol  logS: -6.81564  SlogP: 4.22501  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0512646  Sterimol/B1: 2.67985  Sterimol/B2: 2.87956  Sterimol/B3: 5.35015
  Sterimol/B4: 8.69767  Sterimol/L: 21.6678 
 
 Surface and Volume Properties
  Accessible surface: 746.558  Positive charged surface: 437.693  Negative charged surface: 308.865  Volume: 412.375
  Hydrophobic surface: 636.248  Hydrophilic surface: 110.31
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.