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CHEMDIV-ZINC05143795

 MMsINC code: MMs00991724
Type: Neutral
Formula: C24H26N2O2
SMILES:   O=C(c1ccccc1)c1n(ccc1)C(C(=O)NC(CCc1ccccc1)C)C
InChI:   InChI=1/C24H26N2O2/c1-18(15-16-20-10-5-3-6-11-20)25-24(28)19(2)26-17-9-14-22(26)23(27)21-12-7-4-8-13-21/h3-14,17-19H,15-16H2,1-2H3,(H,25,28)/t18-,19+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.0083 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.484 g/mol  logS: -4.80597  SlogP: 4.51307  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0619557  Sterimol/B1: 2.07862  Sterimol/B2: 3.1347  Sterimol/B3: 4.79553
  Sterimol/B4: 9.48443  Sterimol/L: 18.5646 
 
 Surface and Volume Properties
  Accessible surface: 691.967  Positive charged surface: 396.971  Negative charged surface: 294.996  Volume: 387.875
  Hydrophobic surface: 593.699  Hydrophilic surface: 98.268
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.