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ASINEX-ZINC00496889

 MMsINC code: MMs00137335
Type: Neutral
Formula: C15H16N2O4
SMILES:   O(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccncc1
InChI:   InChI=1/C15H16N2O4/c1-19-12-9-14(21-3)13(20-2)8-11(12)15(18)17-10-4-6-16-7-5-10/h4-9H,1-3H3,(H,16,17,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.762 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.303 g/mol  logS: -2.24787  SlogP: 2.3597  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0262112  Sterimol/B1: 2.49069  Sterimol/B2: 2.53602  Sterimol/B3: 2.93801
  Sterimol/B4: 9.69834  Sterimol/L: 15.7239 
 
 Surface and Volume Properties
  Accessible surface: 533.43  Positive charged surface: 435.212  Negative charged surface: 98.2183  Volume: 269.75
  Hydrophobic surface: 465.206  Hydrophilic surface: 68.224
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.