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ENAMINE-ZINC05702542

 MMsINC code: MMs01635826
Type: Neutral
Formula: C14H13NO5
SMILES:   O(c1ccccc1[N+](=O)[O-])c1cc(OC)cc(OC)c1
InChI:   InChI=1/C14H13NO5/c1-18-10-7-11(19-2)9-12(8-10)20-14-6-4-3-5-13(14)15(16)17/h3-9H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.2306 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.26 g/mol  logS: -4.05858  SlogP: 3.4043  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112369  Sterimol/B1: 2.49003  Sterimol/B2: 3.1172  Sterimol/B3: 4.70649
  Sterimol/B4: 6.48245  Sterimol/L: 13.4477 
 
 Surface and Volume Properties
  Accessible surface: 489.436  Positive charged surface: 302.684  Negative charged surface: 186.752  Volume: 246.75
  Hydrophobic surface: 390.584  Hydrophilic surface: 98.852
 
 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.