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ENAMINE-ZINC06594991

 MMsINC code: MMs01682315
Type: Neutral
Formula: C18H16F2N4O
SMILES:   Fc1cc(F)ccc1NC(=O)Nc1n(nc(c1)C)-c1ccc(cc1)C
InChI:   InChI=1/C18H16F2N4O/c1-11-3-6-14(7-4-11)24-17(9-12(2)23-24)22-18(25)21-16-8-5-13(19)10-15(16)20/h3-10H,1-2H3,(H2,21,22,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.0937 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.349 g/mol  logS: -5.09449  SlogP: 4.41134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.024641  Sterimol/B1: 2.44203  Sterimol/B2: 2.67404  Sterimol/B3: 3.11594
  Sterimol/B4: 9.70912  Sterimol/L: 17.0309 
 
 Surface and Volume Properties
  Accessible surface: 596.729  Positive charged surface: 311.421  Negative charged surface: 285.308  Volume: 308.25
  Hydrophobic surface: 540.265  Hydrophilic surface: 56.464
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.