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PUBCHEM-ZINC06521353

 MMsINC code: MMs03779748
Type: Neutral
Formula: C11H16FN2O7P
SMILES:   P(O)(O)(=O)COCC1OC(N2C=C(C)C(=O)NC2=O)CC1F
InChI:   InChI=1/C11H16FN2O7P/c1-6-3-14(11(16)13-10(6)15)9-2-7(12)8(21-9)4-20-5-22(17,18)19/h3,7-9H,2,4-5H2,1H3,(H,13,15,16)(H2,17,18,19)/t7-,8+,9+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.52146 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.228 g/mol  logS: -0.2003  SlogP: -0.6034  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0902527  Sterimol/B1: 2.85099  Sterimol/B2: 4.08885  Sterimol/B3: 4.22736
  Sterimol/B4: 6.03045  Sterimol/L: 14.8955 
 
 Surface and Volume Properties
  Accessible surface: 523.041  Positive charged surface: 317.568  Negative charged surface: 205.473  Volume: 264.75
  Hydrophobic surface: 251.679  Hydrophilic surface: 271.362
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  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.