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NCID-ZINC05352681

 MMsINC code: MMs02454443
Type: Neutral
Formula: C9H17FN2O6
SMILES:   FCCNC(=O)NC1C(O)C(O)C(OC1O)CO
InChI:   InChI=1/C9H17FN2O6/c10-1-2-11-9(17)12-5-7(15)6(14)4(3-13)18-8(5)16/h4-8,13-16H,1-3H2,(H2,11,12,17)/t4-,5+,6+,7-,8-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.2545 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.241 g/mol  logS: 0.70993  SlogP: -2.945  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.171971  Sterimol/B1: 3.71393  Sterimol/B2: 3.98389  Sterimol/B3: 4.40008
  Sterimol/B4: 4.47742  Sterimol/L: 14.1608 
 
 Surface and Volume Properties
  Accessible surface: 467.083  Positive charged surface: 354.422  Negative charged surface: 112.661  Volume: 221.375
  Hydrophobic surface: 206.838  Hydrophilic surface: 260.245
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.