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CHEMSTAR-ZINC00990260

 MMsINC code: MMs01076794
Type: Neutral
Formula: C22H24N2O4
SMILES:   OC(=O)C1CCCCC1C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(cc1)C
InChI:   InChI=1/C22H24N2O4/c1-14-6-10-16(11-7-14)23-20(25)15-8-12-17(13-9-15)24-21(26)18-4-2-3-5-19(18)22(27)28/h6-13,18-19H,2-5H2,1H3,(H,23,25)(H,24,26)(H,27,28)/t18-,19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.4527 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.444 g/mol  logS: -5.1225  SlogP: 4.07682  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0334164  Sterimol/B1: 3.24967  Sterimol/B2: 4.36913  Sterimol/B3: 4.49619
  Sterimol/B4: 4.70156  Sterimol/L: 21.1527 
 
 Surface and Volume Properties
  Accessible surface: 675.415  Positive charged surface: 419.958  Negative charged surface: 255.457  Volume: 366.375
  Hydrophobic surface: 535.44  Hydrophilic surface: 139.975
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs01076795
CHEMSTAR-ZINC00990260