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NCID-ZINC05458926

 MMsINC code: MMs02463495
Type: Neutral
Formula: C9H16FN3O7
SMILES:   FCCN(N=O)C(=O)NC(C(O)C(O)C(O)CO)C=O
InChI:   InChI=1/C9H16FN3O7/c10-1-2-13(12-20)9(19)11-5(3-14)7(17)8(18)6(16)4-15/h3,5-8,15-18H,1-2,4H2,(H,11,19)/t5-,6+,7-,8+/m0/s1

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Potential Energy
Epot(MMFF94)=90.4481 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.239 g/mol  logS: 0.41624  SlogP: -2.7086  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0851365  Sterimol/B1: 2.17857  Sterimol/B2: 3.7308  Sterimol/B3: 5.07305
  Sterimol/B4: 5.16029  Sterimol/L: 14.8106 
 
 Surface and Volume Properties
  Accessible surface: 486.01  Positive charged surface: 285.798  Negative charged surface: 200.212  Volume: 240.375
  Hydrophobic surface: 229.209  Hydrophilic surface: 256.801
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.