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NCID-ZINC05892026

 MMsINC code: MMs02510833
Type: Neutral
Formula: C10H11FN2O4
SMILES:   FC1=CN(C2OC(C)C(O)C=C2)C(=O)NC1=O
InChI:   InChI=1/C10H11FN2O4/c1-5-7(14)2-3-8(17-5)13-4-6(11)9(15)12-10(13)16/h2-5,7-8,14H,1H3,(H,12,15,16)/t5-,7-,8-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.8491 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.206 g/mol  logS: -1.499  SlogP: 0.1199  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145806  Sterimol/B1: 2.13454  Sterimol/B2: 2.36547  Sterimol/B3: 4.59691
  Sterimol/B4: 5.41334  Sterimol/L: 12.3666 
 
 Surface and Volume Properties
  Accessible surface: 409.957  Positive charged surface: 252.274  Negative charged surface: 157.683  Volume: 197.5
  Hydrophobic surface: 209.3  Hydrophilic surface: 200.657
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.