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ENAMINE-ZINC03261368

 MMsINC code: MMs01336941
Type: Neutral
Formula: C14H10F2N2
SMILES:   Fc1cc(ccc1)\C=N\N=C\c1cc(F)ccc1
InChI:   InChI=1/C14H10F2N2/c15-13-5-1-3-11(7-13)9-17-18-10-12-4-2-6-14(16)8-12/h1-10H/b17-9+,18-10+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.1262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.244 g/mol  logS: -4.08286  SlogP: 3.4178  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.3636e-07  Sterimol/B1: 2.09859  Sterimol/B2: 2.10215  Sterimol/B3: 3.19519
  Sterimol/B4: 5.11878  Sterimol/L: 16.3401 
 
 Surface and Volume Properties
  Accessible surface: 476.675  Positive charged surface: 250.322  Negative charged surface: 226.354  Volume: 226.875
  Hydrophobic surface: 428.941  Hydrophilic surface: 47.734
 
 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.