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ALFAAESAR-ZINC00640220

 MMsINC code: MMs00021105
Type: Neutral
Formula: C24H10N2O4
SMILES:   O=C1NC(=O)c2c3c1ccc1c3c(c3c4c5c(ccc14)C(=O)NC(=O)c5cc3)cc2
InChI:   InChI=1/C24H10N2O4/c27-21-13-5-1-9-10-2-6-15-20-16(24(30)26-23(15)29)8-4-12(18(10)20)11-3-7-14(22(28)25-21)19(13)17(9)11/h1-8H,(H,25,27,28)(H,26,29,30)

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Potential Energy
Epot(MMFF94)=96.8201 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.354 g/mol  logS: -9.65958  SlogP: 3.5044  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.26605e-07  Sterimol/B1: 2.09796  Sterimol/B2: 2.09875  Sterimol/B3: 2.42604
  Sterimol/B4: 7.27568  Sterimol/L: 15.8791 
 
 Surface and Volume Properties
  Accessible surface: 529.854  Positive charged surface: 234.773  Negative charged surface: 250.796  Volume: 328.375
  Hydrophobic surface: 299.659  Hydrophilic surface: 230.195
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.