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PUBCHEM-ZINC00346053

 MMsINC code: MMs02660309
Type: Ionized
Formula: C19H14NO2-
SMILES:   O=C([O-])c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChI:   InChI=1/C19H15NO2/c21-19(22)15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,(H,21,22)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.3954 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.326 g/mol  logS: -5.18986  SlogP: 3.5199  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113415  Sterimol/B1: 2.42628  Sterimol/B2: 2.88947  Sterimol/B3: 2.95592
  Sterimol/B4: 9.80827  Sterimol/L: 13.1516 
 
 Surface and Volume Properties
  Accessible surface: 528.768  Positive charged surface: 264.086  Negative charged surface: 264.682  Volume: 290.125
  Hydrophobic surface: 438.545  Hydrophilic surface: 90.223
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  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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Parent related molecule:


MMs02660308
PUBCHEM-ZINC00346053