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PUBCHEM-ZINC01852902

 MMsINC code: MMs02826746
Type: Neutral
Formula: C13H20F4O2
SMILES:   FC1(F)C(CC1(F)F)CCCCCCCCC(O)=O
InChI:   InChI=1/C13H20F4O2/c14-12(15)9-10(13(12,16)17)7-5-3-1-2-4-6-8-11(18)19/h10H,1-9H2,(H,18,19)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=23.4691 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.293 g/mol  logS: -4.28156  SlogP: 5.3221  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0312458  Sterimol/B1: 2.32696  Sterimol/B2: 2.55787  Sterimol/B3: 3.82049
  Sterimol/B4: 4.55261  Sterimol/L: 18.8207 
 
 Surface and Volume Properties
  Accessible surface: 526.528  Positive charged surface: 268.767  Negative charged surface: 197.166  Volume: 253.5
  Hydrophobic surface: 302.396  Hydrophilic surface: 224.132
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02826747
PUBCHEM-ZINC01852902