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NCID-ZINC01630116

 MMsINC code: MMs02275432
Type: Neutral
Formula: C11H16FIN2O5
SMILES:   IC1(C)C(OC)N(C2OC(CO)C(F)C2)C(=O)NC1=O
InChI:   InChI=1/C11H16FIN2O5/c1-11(13)8(17)14-10(18)15(9(11)19-2)7-3-5(12)6(4-16)20-7/h5-7,9,16H,3-4H2,1-2H3,(H,14,17,18)/t5-,6+,7+,9+,11-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.9798 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.16 g/mol  logS: -2.68847  SlogP: 0.9896  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13897  Sterimol/B1: 3.64137  Sterimol/B2: 4.1594  Sterimol/B3: 4.44597
  Sterimol/B4: 5.24774  Sterimol/L: 12.7799 
 
 Surface and Volume Properties
  Accessible surface: 491.018  Positive charged surface: 284.253  Negative charged surface: 206.765  Volume: 267.25
  Hydrophobic surface: 293.879  Hydrophilic surface: 197.139
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.