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PUBCHEM-ZINC03872161

 MMsINC code: MMs03081032
Type: Neutral
Formula: C11H19F2NO3
SMILES:   FC(F)(C(O)C(N)CC1CCCCC1)C(O)=O
InChI:   InChI=1/C11H19F2NO3/c12-11(13,10(16)17)9(15)8(14)6-7-4-2-1-3-5-7/h7-9,15H,1-6,14H2,(H,16,17)/t8-,9+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.2478 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.273 g/mol  logS: -2.78158  SlogP: 1.7848  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0879138  Sterimol/B1: 2.69863  Sterimol/B2: 3.43101  Sterimol/B3: 3.96148
  Sterimol/B4: 4.39137  Sterimol/L: 14.5528 
 
 Surface and Volume Properties
  Accessible surface: 446.098  Positive charged surface: 296.157  Negative charged surface: 149.941  Volume: 225
  Hydrophobic surface: 243  Hydrophilic surface: 203.098
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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: no related molecules available.