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CHEMBRIDGE-ZINC04538551

 MMsINC code: MMs00770868
Type: Neutral
Formula: C17H11ClFNO4S
SMILES:   Clc1cc(N2C(=O)C(Sc3ccccc3C(O)=O)CC2=O)ccc1F
InChI:   InChI=1/C17H11ClFNO4S/c18-11-7-9(5-6-12(11)19)20-15(21)8-14(16(20)22)25-13-4-2-1-3-10(13)17(23)24/h1-7,14H,8H2,(H,23,24)/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=106.187 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.795 g/mol  logS: -5.71346  SlogP: 3.6015  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.157017  Sterimol/B1: 2.42919  Sterimol/B2: 3.74773  Sterimol/B3: 5.63822
  Sterimol/B4: 7.13868  Sterimol/L: 14.7453 
 
 Surface and Volume Properties
  Accessible surface: 561.333  Positive charged surface: 254.37  Negative charged surface: 306.963  Volume: 304
  Hydrophobic surface: 397.549  Hydrophilic surface: 163.784
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00770869
CHEMBRIDGE-ZINC04538551