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NCID-ZINC05573577

 MMsINC code: MMs02476764
Type: Neutral
Formula: C15H27NO10S2
SMILES:   S(C(=S)N(C)C)C1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
InChI:   InChI=1/C15H27NO10S2/c1-16(2)15(27)28-14-11(23)9(21)12(6(4-18)25-14)26-13-10(22)8(20)7(19)5(3-17)24-13/h5-14,17-23H,3-4H2,1-2H3/t5-,6-,7+,8+,9-,10+,11-,12+,13+,14-/m0/s1

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Potential Energy
Epot(MMFF94)=183.684 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 445.51 g/mol  logS: -1.24614  SlogP: -3.8098  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0938108  Sterimol/B1: 2.33227  Sterimol/B2: 4.58255  Sterimol/B3: 5.70984
  Sterimol/B4: 5.79479  Sterimol/L: 17.3999 
 
 Surface and Volume Properties
  Accessible surface: 649.301  Positive charged surface: 516.51  Negative charged surface: 132.791  Volume: 369.125
  Hydrophobic surface: 321.704  Hydrophilic surface: 327.597
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 11  Acid groups: 0  Basic groups: 0
  Chiral centers: 10
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.