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PUBCHEM-ZINC06523472

 MMsINC code: MMs03781594
Type: Neutral
Formula: C11H14F2N2O5
SMILES:   FC1(F)CC(OC(CO)C1O)N1C=C(C)C(=O)NC1=O
InChI:   InChI=1/C11H14F2N2O5/c1-5-3-15(10(19)14-9(5)18)7-2-11(12,13)8(17)6(4-16)20-7/h3,6-8,16-17H,2,4H2,1H3,(H,14,18,19)/t6-,7+,8-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.4392 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.238 g/mol  logS: -0.99625  SlogP: -0.0346  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178029  Sterimol/B1: 3.2935  Sterimol/B2: 4.26711  Sterimol/B3: 4.6502
  Sterimol/B4: 4.96573  Sterimol/L: 11.8473 
 
 Surface and Volume Properties
  Accessible surface: 437.761  Positive charged surface: 278.827  Negative charged surface: 158.934  Volume: 228.5
  Hydrophobic surface: 207.306  Hydrophilic surface: 230.455
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs03781595
PUBCHEM-ZINC06523472