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CHEMDIV-ZINC02724158

 MMsINC code: MMs00886868
Type: Neutral
Formula: C25H24N2O3
SMILES:   O(C)c1ccc(cc1)CC(=O)N1CC(=O)Nc2c(cc(cc2)C)C1c1ccccc1
InChI:   InChI=1/C25H24N2O3/c1-17-8-13-22-21(14-17)25(19-6-4-3-5-7-19)27(16-23(28)26-22)24(29)15-18-9-11-20(30-2)12-10-18/h3-14,25H,15-16H2,1-2H3,(H,26,28)/t25-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=147.597 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.478 g/mol  logS: -5.89752  SlogP: 4.21189  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176164  Sterimol/B1: 2.28928  Sterimol/B2: 2.65418  Sterimol/B3: 7.60951
  Sterimol/B4: 9.70883  Sterimol/L: 16.4952 
 
 Surface and Volume Properties
  Accessible surface: 680.076  Positive charged surface: 418.279  Negative charged surface: 261.797  Volume: 392.625
  Hydrophobic surface: 585.627  Hydrophilic surface: 94.449
 
 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.