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ENAMINE-ZINC04207043

 MMsINC code: MMs01534665
Type: Ionized
Formula: C10H13F2N2O2S+
SMILES:   S(=O)(=O)(N1CC[NH2+]CC1)c1cc(F)ccc1F
InChI:   InChI=1/C10H12F2N2O2S/c11-8-1-2-9(12)10(7-8)17(15,16)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2/p+1

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Potential Energy
Epot(MMFF94)=27.7339 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.288 g/mol  logS: -1.77979  SlogP: -0.4675  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178227  Sterimol/B1: 2.2387  Sterimol/B2: 3.5945  Sterimol/B3: 3.94424
  Sterimol/B4: 5.56151  Sterimol/L: 11.6709 
 
 Surface and Volume Properties
  Accessible surface: 421.969  Positive charged surface: 261.723  Negative charged surface: 160.246  Volume: 216.25
  Hydrophobic surface: 301.435  Hydrophilic surface: 120.534
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  Chiral centers: 0
 
 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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MMs01534664
ENAMINE-ZINC04207043