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AURORAFEINCHEMIE-ZINC03958090

 MMsINC code: MMs00459387
Type: Neutral
Formula: C11H7NO4
SMILES:   O1c2c(-c3noc(OC)c3C1=O)cccc2
InChI:   InChI=1/C11H7NO4/c1-14-11-8-9(12-16-11)6-4-2-3-5-7(6)15-10(8)13/h2-5H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.2748 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.18 g/mol  logS: -3.66835  SlogP: 1.8828  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00967901  Sterimol/B1: 2.32499  Sterimol/B2: 2.42004  Sterimol/B3: 3.78868
  Sterimol/B4: 4.71379  Sterimol/L: 13.5548 
 
 Surface and Volume Properties
  Accessible surface: 392.853  Positive charged surface: 229.823  Negative charged surface: 163.03  Volume: 184.25
  Hydrophobic surface: 275.466  Hydrophilic surface: 117.387
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.