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NCID-ZINC05758375

 MMsINC code: MMs02494661
Type: Neutral
Formula: C10H15FN2O6
SMILES:   FC1C(OC)N(C2OC(CO)C(O)C2)C(=O)NC1=O
InChI:   InChI=1/C10H15FN2O6/c1-18-9-7(11)8(16)12-10(17)13(9)6-2-4(15)5(3-14)19-6/h4-7,9,14-15H,2-3H2,1H3,(H,12,16,17)/t4-,5-,6-,7-,9-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.8313 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.236 g/mol  logS: -0.35045  SlogP: -1.2631  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105001  Sterimol/B1: 2.1863  Sterimol/B2: 3.00356  Sterimol/B3: 3.55145
  Sterimol/B4: 7.42298  Sterimol/L: 12.5141 
 
 Surface and Volume Properties
  Accessible surface: 445.991  Positive charged surface: 322.641  Negative charged surface: 123.35  Volume: 225.625
  Hydrophobic surface: 210.352  Hydrophilic surface: 235.639
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.