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NCID-ZINC01603538

 MMsINC code: MMs02256196
Type: Neutral
Formula: C14H24O3P2S3
SMILES:   S(P(=S)(OCC)c1ccccc1)P(=S)(OC(C)C)OC(C)C
InChI:   InChI=1/C14H24O3P2S3/c1-6-15-18(20,14-10-8-7-9-11-14)22-19(21,16-12(2)3)17-13(4)5/h7-13H,6H2,1-5H3/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=43.5667 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.489 g/mol  logS: -6.55985  SlogP: 5.4656  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.161382  Sterimol/B1: 2.40807  Sterimol/B2: 2.75222  Sterimol/B3: 5.51399
  Sterimol/B4: 9.58059  Sterimol/L: 14.5087 
 
 Surface and Volume Properties
  Accessible surface: 606.606  Positive charged surface: 340.51  Negative charged surface: 266.096  Volume: 361.25
  Hydrophobic surface: 413.073  Hydrophilic surface: 193.533
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.