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NCID-ZINC01620319

 MMsINC code: MMs02268545
Type: Neutral
Formula: C10H10FNO2S2
SMILES:   S(C(C(O)=O)C)C(=S)Nc1cc(F)ccc1
InChI:   InChI=1/C10H10FNO2S2/c1-6(9(13)14)16-10(15)12-8-4-2-3-7(11)5-8/h2-6H,1H3,(H,12,15)(H,13,14)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=70.2802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.325 g/mol  logS: -4.4878  SlogP: 2.7288  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.035054  Sterimol/B1: 3.04768  Sterimol/B2: 3.12158  Sterimol/B3: 3.54114
  Sterimol/B4: 5.15271  Sterimol/L: 13.4458 
 
 Surface and Volume Properties
  Accessible surface: 439.469  Positive charged surface: 211.366  Negative charged surface: 228.103  Volume: 215.625
  Hydrophobic surface: 250.481  Hydrophilic surface: 188.988
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs02268546
NCID-ZINC01620319