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OTAVA-ZINC01938734

 MMsINC code: MMs02570517
Type: Neutral
Formula: C25H25NO4
SMILES:   O(C(C(OCc1ccccc1)=O)C)c1ccc(cc1)C(=O)Nc1ccc(cc1C)C
InChI:   InChI=1/C25H25NO4/c1-17-9-14-23(18(2)15-17)26-24(27)21-10-12-22(13-11-21)30-19(3)25(28)29-16-20-7-5-4-6-8-20/h4-15,19H,16H2,1-3H3,(H,26,27)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.536 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.478 g/mol  logS: -6.54292  SlogP: 5.33284  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0229491  Sterimol/B1: 3.02478  Sterimol/B2: 3.71537  Sterimol/B3: 3.74818
  Sterimol/B4: 6.0039  Sterimol/L: 23.758 
 
 Surface and Volume Properties
  Accessible surface: 752.865  Positive charged surface: 433.725  Negative charged surface: 319.14  Volume: 404.5
  Hydrophobic surface: 654.282  Hydrophilic surface: 98.583
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.