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PUBCHEM-ZINC04679713

 MMsINC code: MMs03154517
Type: Neutral
Formula: C25H23NO4
SMILES:   O(C(=O)C(NC(=O)C)Cc1ccccc1)CC(=O)c1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C25H23NO4/c1-18(27)26-23(16-19-8-4-2-5-9-19)25(29)30-17-24(28)22-14-12-21(13-15-22)20-10-6-3-7-11-20/h2-15,23H,16-17H2,1H3,(H,26,27)/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=126.724 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.462 g/mol  logS: -6.53364  SlogP: 3.82687  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0120109  Sterimol/B1: 2.23299  Sterimol/B2: 2.61261  Sterimol/B3: 3.4495
  Sterimol/B4: 8.87426  Sterimol/L: 22.5631 
 
 Surface and Volume Properties
  Accessible surface: 708.266  Positive charged surface: 377.398  Negative charged surface: 320.304  Volume: 393.75
  Hydrophobic surface: 608.787  Hydrophilic surface: 99.479
 
 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.