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PUBCHEM-ZINC05290226

 MMsINC code: MMs03233883
Type: Neutral
Formula: C10H15F4N3O2
SMILES:   FC(F)C(=O)N1CCN(CC1)CCNC(=O)C(F)F
InChI:   InChI=1/C10H15F4N3O2/c11-7(12)9(18)15-1-2-16-3-5-17(6-4-16)10(19)8(13)14/h7-8H,1-6H2,(H,15,18)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.5405 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.241 g/mol  logS: -0.93264  SlogP: 0.6168  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0490916  Sterimol/B1: 2.44669  Sterimol/B2: 2.68982  Sterimol/B3: 3.28159
  Sterimol/B4: 5.27465  Sterimol/L: 15.7459 
 
 Surface and Volume Properties
  Accessible surface: 476.042  Positive charged surface: 283.91  Negative charged surface: 192.132  Volume: 229
  Hydrophobic surface: 226.015  Hydrophilic surface: 250.027
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs03233884
PUBCHEM-ZINC05290226