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PUBCHEM-ZINC05851659

 MMsINC code: MMs03417111
Type: Neutral
Formula: C10H17FN2OS
SMILES:   S1CC2NC(=O)NC2C1CCCCCF
InChI:   InChI=1/C10H17FN2OS/c11-5-3-1-2-4-8-9-7(6-15-8)12-10(14)13-9/h7-9H,1-6H2,(H2,12,13,14)/t7-,8-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=21.7419 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.323 g/mol  logS: -2.02466  SlogP: 1.6817  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0718704  Sterimol/B1: 2.4105  Sterimol/B2: 2.61322  Sterimol/B3: 4.13774
  Sterimol/B4: 6.17476  Sterimol/L: 13.8718 
 
 Surface and Volume Properties
  Accessible surface: 440.513  Positive charged surface: 313.901  Negative charged surface: 126.612  Volume: 214.125
  Hydrophobic surface: 267.465  Hydrophilic surface: 173.048
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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: no related molecules available.