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IFLAB-ZINC04032766

 MMsINC code: MMs02007907
Type: Neutral
Formula: C24H28N2O3
SMILES:   O(CCCC)c1ccc(cc1)C(=O)NCCC1=Cc2cc(C)c(cc2NC1=O)C
InChI:   InChI=1/C24H28N2O3/c1-4-5-12-29-21-8-6-18(7-9-21)23(27)25-11-10-19-15-20-13-16(2)17(3)14-22(20)26-24(19)28/h6-9,13-15H,4-5,10-12H2,1-3H3,(H,25,27)(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.0285 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.499 g/mol  logS: -6.08959  SlogP: 4.63794  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0304427  Sterimol/B1: 2.88506  Sterimol/B2: 3.64666  Sterimol/B3: 4.5355
  Sterimol/B4: 5.78118  Sterimol/L: 24.456 
 
 Surface and Volume Properties
  Accessible surface: 736.604  Positive charged surface: 474.761  Negative charged surface: 261.843  Volume: 399.5
  Hydrophobic surface: 602.739  Hydrophilic surface: 133.865
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.