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ENAMINE-ZINC03216803

 MMsINC code: MMs01310613
Type: Ionized
Formula: C10H20F3N2O3S+
SMILES:   S(OCC(F)(F)F)(=O)(=O)CCN1CC[NH+](CC1)CC
InChI:   InChI=1/C10H19F3N2O3S/c1-2-14-3-5-15(6-4-14)7-8-19(16,17)18-9-10(11,12)13/h2-9H2,1H3/p+1

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Potential Energy
Epot(MMFF94)=43.3689 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.341 g/mol  logS: -1.2867  SlogP: -0.4646  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0756943  Sterimol/B1: 2.84798  Sterimol/B2: 3.49757  Sterimol/B3: 4.01263
  Sterimol/B4: 5.17039  Sterimol/L: 15.4543 
 
 Surface and Volume Properties
  Accessible surface: 508.333  Positive charged surface: 319.261  Negative charged surface: 189.072  Volume: 253.75
  Hydrophobic surface: 284.22  Hydrophilic surface: 224.113
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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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Parent related molecule:


MMs01310611
ENAMINE-ZINC03216803