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APOLLO-ZINC02528077

 MMsINC code: MMs00052893
Type: Neutral
Formula: C10H10FNO5
SMILES:   Fc1ccc(NC(=O)C(O)C(O)C(O)=O)cc1
InChI:   InChI=1/C10H10FNO5/c11-5-1-3-6(4-2-5)12-9(15)7(13)8(14)10(16)17/h1-4,7-8,13-14H,(H,12,15)(H,16,17)/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=61.3873 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.19 g/mol  logS: -1.47271  SlogP: -0.4294  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0634923  Sterimol/B1: 2.43847  Sterimol/B2: 3.03321  Sterimol/B3: 3.51785
  Sterimol/B4: 4.97216  Sterimol/L: 14.0819 
 
 Surface and Volume Properties
  Accessible surface: 423.12  Positive charged surface: 216.335  Negative charged surface: 206.785  Volume: 198.25
  Hydrophobic surface: 222.684  Hydrophilic surface: 200.436
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00052894
APOLLO-ZINC02528077