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NCID-ZINC05022881

 MMsINC code: MMs02429081
Type: Neutral
Formula: C11H11FN2O5
SMILES:   FC1=CN(C2OC(=CC2)C(OCC)=O)C(=O)NC1=O
InChI:   InChI=1/C11H11FN2O5/c1-2-18-10(16)7-3-4-8(19-7)14-5-6(12)9(15)13-11(14)17/h3,5,8H,2,4H2,1H3,(H,13,15,17)/t8-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.3149 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.216 g/mol  logS: -1.9354  SlogP: 0.6514  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.03632  Sterimol/B1: 2.86182  Sterimol/B2: 2.97113  Sterimol/B3: 3.2664
  Sterimol/B4: 6.34808  Sterimol/L: 14.529 
 
 Surface and Volume Properties
  Accessible surface: 469.357  Positive charged surface: 277.027  Negative charged surface: 192.33  Volume: 221.375
  Hydrophobic surface: 262.25  Hydrophilic surface: 207.107
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.