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PUBCHEM-ZINC03807810

 MMsINC code: MMs03076854
Type: Neutral
Formula: C8H11F3N2O5
SMILES:   FC(F)(F)C(=O)NC1NCC(C(O)=O)C(O)C1O
InChI:   InChI=1/C8H11F3N2O5/c9-8(10,11)7(18)13-5-4(15)3(14)2(1-12-5)6(16)17/h2-5,12,14-15H,1H2,(H,13,18)(H,16,17)/t2-,3-,4-,5+/m0/s1

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Potential Energy
Epot(MMFF94)=51.5014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.179 g/mol  logS: 0.01015  SlogP: -1.5633  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103811  Sterimol/B1: 2.43703  Sterimol/B2: 3.24452  Sterimol/B3: 3.35432
  Sterimol/B4: 5.75063  Sterimol/L: 13.4077 
 
 Surface and Volume Properties
  Accessible surface: 421.731  Positive charged surface: 222.357  Negative charged surface: 199.374  Volume: 196.125
  Hydrophobic surface: 83.7654  Hydrophilic surface: 337.9656
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs03076855
PUBCHEM-ZINC03807810