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PUBCHEM-ZINC06031844

 MMsINC code: MMs03504474
Type: Neutral
Formula: C7H14FNO3
SMILES:   FC1C(N)C(O)C(OC1OC)C
InChI:   InChI=1/C7H14FNO3/c1-3-6(10)5(9)4(8)7(11-2)12-3/h3-7,10H,9H2,1-2H3/t3-,4+,5+,6-,7+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.949 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 179.191 g/mol  logS: -0.04511  SlogP: -0.1762  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.245324  Sterimol/B1: 2.11208  Sterimol/B2: 2.15072  Sterimol/B3: 4.80988
  Sterimol/B4: 5.92964  Sterimol/L: 10.5035 
 
 Surface and Volume Properties
  Accessible surface: 352.893  Positive charged surface: 269.267  Negative charged surface: 83.6267  Volume: 163.125
  Hydrophobic surface: 189.279  Hydrophilic surface: 163.614
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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


MMs03504475
PUBCHEM-ZINC06031844