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CHEMDIV-ZINC02724203

 MMsINC code: MMs00886901
Type: Neutral
Formula: C24H22N2O3
SMILES:   O(C)c1cc(ccc1)C(=O)N1CC(=O)Nc2c(cc(cc2)C)C1c1ccccc1
InChI:   InChI=1/C24H22N2O3/c1-16-11-12-21-20(13-16)23(17-7-4-3-5-8-17)26(15-22(27)25-21)24(28)18-9-6-10-19(14-18)29-2/h3-14,23H,15H2,1-2H3,(H,25,27)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=176.98 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.451 g/mol  logS: -5.83605  SlogP: 4.28302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.365056  Sterimol/B1: 2.3506  Sterimol/B2: 4.84013  Sterimol/B3: 5.89946
  Sterimol/B4: 9.4725  Sterimol/L: 13.6123 
 
 Surface and Volume Properties
  Accessible surface: 602.605  Positive charged surface: 356.874  Negative charged surface: 245.731  Volume: 369.125
  Hydrophobic surface: 503.311  Hydrophilic surface: 99.294
 
 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.