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ENAMINE-ZINC03177042

 MMsINC code: MMs01296158
Type: Neutral
Formula: C14H16NO3P
SMILES:   P(Oc1ccccc1C)(Oc1ccccc1C)(=O)N
InChI:   InChI=1/C14H16NO3P/c1-11-7-3-5-9-13(11)17-19(15,16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H2,15,16)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.8341 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.26 g/mol  logS: -3.4224  SlogP: 2.75784  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0733223  Sterimol/B1: 2.21851  Sterimol/B2: 2.49109  Sterimol/B3: 3.99868
  Sterimol/B4: 6.37004  Sterimol/L: 14.2304 
 
 Surface and Volume Properties
  Accessible surface: 486.536  Positive charged surface: 274.183  Negative charged surface: 212.353  Volume: 259
  Hydrophobic surface: 416.982  Hydrophilic surface: 69.554
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.