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IFLAB-ZINC02716554

 MMsINC code: MMs02000985
Type: Neutral
Formula: C24H24N2O4
SMILES:   o1cccc1CNC(=O)COc1c2c(ccc1)C(=O)N(CC2)Cc1cc(ccc1)C
InChI:   InChI=1/C24H24N2O4/c1-17-5-2-6-18(13-17)15-26-11-10-20-21(24(26)28)8-3-9-22(20)30-16-23(27)25-14-19-7-4-12-29-19/h2-9,12-13H,10-11,14-16H2,1H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.7545 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.466 g/mol  logS: -5.59313  SlogP: 4.01449  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.042281  Sterimol/B1: 2.01379  Sterimol/B2: 2.71997  Sterimol/B3: 4.85184
  Sterimol/B4: 8.9784  Sterimol/L: 21.507 
 
 Surface and Volume Properties
  Accessible surface: 714.468  Positive charged surface: 440.098  Negative charged surface: 274.37  Volume: 394.25
  Hydrophobic surface: 610.157  Hydrophilic surface: 104.311
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.