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PUBCHEM-ZINC01847563

 MMsINC code: MMs02824590
Type: Neutral
Formula: C10H17N2O2PS2
SMILES:   S(P(=S)(OCC)OCC)c1nc(cc(n1)C)C
InChI:   InChI=1/C10H17N2O2PS2/c1-5-13-15(16,14-6-2)17-10-11-8(3)7-9(4)12-10/h7H,5-6H2,1-4H3

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Potential Energy
Epot(MMFF94)=-7.91405 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.364 g/mol  logS: -4.57812  SlogP: 3.48304  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1229  Sterimol/B1: 2.40477  Sterimol/B2: 4.1952  Sterimol/B3: 5.3059
  Sterimol/B4: 7.47188  Sterimol/L: 12.2761 
 
 Surface and Volume Properties
  Accessible surface: 505.551  Positive charged surface: 288.602  Negative charged surface: 216.949  Volume: 264.625
  Hydrophobic surface: 343.205  Hydrophilic surface: 162.346
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  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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Ions/Tautomers related molecules: no related molecules available.