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NCID-ZINC05892030

 MMsINC code: MMs02510834
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+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.9081 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: 0.15388  Sterimol/B1: 2.54218  Sterimol/B2: 3.42503  Sterimol/B3: 3.85156
  Sterimol/B4: 6.22776  Sterimol/L: 10.9603 
 
 Surface and Volume Properties
  Accessible surface: 401.069  Positive charged surface: 228.291  Negative charged surface: 172.778  Volume: 197.375
  Hydrophobic surface: 183.267  Hydrophilic surface: 217.802
 
 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.