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PUBCHEM-ZINC05113426

 MMsINC code: MMs03201682
Type: Neutral
Formula: C10H24F2N4
SMILES:   FC(F)(CCNCCCN)CNCCCN
InChI:   InChI=1/C10H24F2N4/c11-10(12,9-16-7-2-5-14)3-8-15-6-1-4-13/h15-16H,1-9,13-14H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.1265 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.326 g/mol  logS: 0.18421  SlogP: 0.3085  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0184876  Sterimol/B1: 2.12444  Sterimol/B2: 2.57106  Sterimol/B3: 2.70485
  Sterimol/B4: 3.21779  Sterimol/L: 20.2578 
 
 Surface and Volume Properties
  Accessible surface: 532.326  Positive charged surface: 430.979  Negative charged surface: 101.347  Volume: 243.375
  Hydrophobic surface: 314.669  Hydrophilic surface: 217.657
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs03201683
PUBCHEM-ZINC05113426