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ENAMINE-ZINC06881290

 MMsINC code: MMs01709503
Type: Neutral
Formula: C18H20F2N4O2
SMILES:   FC(F)Oc1ccc(NC(=O)CN2CCN(CC2)c2ncccc2)cc1
InChI:   InChI=1/C18H20F2N4O2/c19-18(20)26-15-6-4-14(5-7-15)22-17(25)13-23-9-11-24(12-10-23)16-3-1-2-8-21-16/h1-8,18H,9-13H2,(H,22,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=159.641 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.38 g/mol  logS: -2.54282  SlogP: 2.8636  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0507121  Sterimol/B1: 2.55672  Sterimol/B2: 2.97637  Sterimol/B3: 4.67469
  Sterimol/B4: 6.224  Sterimol/L: 18.898 
 
 Surface and Volume Properties
  Accessible surface: 612.379  Positive charged surface: 417.641  Negative charged surface: 194.738  Volume: 328.125
  Hydrophobic surface: 464.005  Hydrophilic surface: 148.374
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs01709504
ENAMINE-ZINC06881290