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NCID-ZINC01596918

 MMsINC code: MMs02250859
Type: Neutral
Formula: C14H14N2O2
SMILES:   O(Cc1ccccc1)C(=O)NNc1ccccc1
InChI:   InChI=1/C14H14N2O2/c17-14(16-15-13-9-5-2-6-10-13)18-11-12-7-3-1-4-8-12/h1-10,15H,11H2,(H,16,17)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.8127 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.278 g/mol  logS: -3.12898  SlogP: 3.2063  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0531264  Sterimol/B1: 2.9411  Sterimol/B2: 3.61715  Sterimol/B3: 3.61881
  Sterimol/B4: 6.54903  Sterimol/L: 15.3619 
 
 Surface and Volume Properties
  Accessible surface: 498.56  Positive charged surface: 277.115  Negative charged surface: 221.445  Volume: 240.375
  Hydrophobic surface: 412.753  Hydrophilic surface: 85.807
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.