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PUBCHEM-ZINC06521149

 MMsINC code: MMs03779550
Type: Neutral
Formula: C11H15FN2O5
SMILES:   FC1CC(OC1(OC)CO)N1C=C(C)C(=O)NC1=O
InChI:   InChI=1/C11H15FN2O5/c1-6-4-14(10(17)13-9(6)16)8-3-7(12)11(5-15,18-2)19-8/h4,7-8,15H,3,5H2,1-2H3,(H,13,16,17)/t7-,8+,11+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.8476 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.248 g/mol  logS: -1.01774  SlogP: 0.2814  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162595  Sterimol/B1: 3.29189  Sterimol/B2: 3.5474  Sterimol/B3: 4.32341
  Sterimol/B4: 5.18826  Sterimol/L: 12.8644 
 
 Surface and Volume Properties
  Accessible surface: 459.984  Positive charged surface: 315.332  Negative charged surface: 144.652  Volume: 230
  Hydrophobic surface: 276.461  Hydrophilic surface: 183.523
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.