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NCID-ZINC05722147

 MMsINC code: MMs02489091
Type: Neutral
Formula: C10H13FN2O4
SMILES:   FC1=CN(C2OC(C)C(O)CC2)C(=O)NC1=O
InChI:   InChI=1/C10H13FN2O4/c1-5-7(14)2-3-8(17-5)13-4-6(11)9(15)12-10(13)16/h4-5,7-8,14H,2-3H2,1H3,(H,12,15,16)/t5-,7-,8+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.6164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.222 g/mol  logS: -1.39672  SlogP: 0.3439  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130408  Sterimol/B1: 2.25064  Sterimol/B2: 3.04875  Sterimol/B3: 4.15741
  Sterimol/B4: 5.27519  Sterimol/L: 12.9378 
 
 Surface and Volume Properties
  Accessible surface: 412.086  Positive charged surface: 251.989  Negative charged surface: 160.097  Volume: 202.375
  Hydrophobic surface: 225.963  Hydrophilic surface: 186.123
 
 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.