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PUBCHEM-ZINC05113210

 MMsINC code: MMs03201564
Type: Neutral
Formula: C7H17FN2
SMILES:   FCCCNCCCCN
InChI:   InChI=1/C7H17FN2/c8-4-3-7-10-6-2-1-5-9/h10H,1-7,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-6.68703 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 148.225 g/mol  logS: 0.02216  SlogP: 0.6745  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0374599  Sterimol/B1: 2.28408  Sterimol/B2: 2.48544  Sterimol/B3: 2.78618
  Sterimol/B4: 3.24389  Sterimol/L: 14.6239 
 
 Surface and Volume Properties
  Accessible surface: 392.083  Positive charged surface: 321.005  Negative charged surface: 71.0788  Volume: 164.375
  Hydrophobic surface: 267.553  Hydrophilic surface: 124.53
 
 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


MMs03201565
PUBCHEM-ZINC05113210