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ASINEX-ZINC00783809

 MMsINC code: MMs00162617
Type: Neutral
Formula: C22H18N2O4
SMILES:   OC1(c2c(N(CC(=O)N)C1=O)cccc2)CC(=O)c1cc2c(cc1)cccc2
InChI:   InChI=1/C22H18N2O4/c23-20(26)13-24-18-8-4-3-7-17(18)22(28,21(24)27)12-19(25)16-10-9-14-5-1-2-6-15(14)11-16/h1-11,28H,12-13H2,(H2,23,26)/t22-/m1/s1

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Potential Energy
Epot(MMFF94)=108.993 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.396 g/mol  logS: -5.53845  SlogP: 2.4438  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0891728  Sterimol/B1: 2.87308  Sterimol/B2: 5.13395  Sterimol/B3: 5.5825
  Sterimol/B4: 5.76932  Sterimol/L: 17.0268 
 
 Surface and Volume Properties
  Accessible surface: 617.908  Positive charged surface: 340.365  Negative charged surface: 266.472  Volume: 345.25
  Hydrophobic surface: 441.05  Hydrophilic surface: 176.858
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.