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ASINEX-ZINC00207426

 MMsINC code: MMs00092415
Type: Neutral
Formula: C14H16N2O3
SMILES:   O(C)c1cc(cc(OC)c1)C(=O)n1nc(cc1C)C
InChI:   InChI=1/C14H16N2O3/c1-9-5-10(2)16(15-9)14(17)11-6-12(18-3)8-13(7-11)19-4/h5-8H,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.7938 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.293 g/mol  logS: -2.59768  SlogP: 2.20564  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.015438  Sterimol/B1: 2.46992  Sterimol/B2: 2.50028  Sterimol/B3: 2.5912
  Sterimol/B4: 7.22135  Sterimol/L: 14.003 
 
 Surface and Volume Properties
  Accessible surface: 496.907  Positive charged surface: 351.425  Negative charged surface: 145.482  Volume: 252
  Hydrophobic surface: 436.442  Hydrophilic surface: 60.465
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.