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PUBCHEM-ZINC03869684

 MMsINC code: MMs03078795
Type: Neutral
Formula: C11H22N2O4S
SMILES:   SCCNC(=O)CCNC(=O)C(O)C(CO)(C)C
InChI:   InChI=1/C11H22N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h9,14,16,18H,3-7H2,1-2H3,(H,12,15)(H,13,17)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=49.2533 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.373 g/mol  logS: -1.00629  SlogP: -1.0819  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0621367  Sterimol/B1: 2.42517  Sterimol/B2: 2.93152  Sterimol/B3: 4.83545
  Sterimol/B4: 5.6619  Sterimol/L: 17.4022 
 
 Surface and Volume Properties
  Accessible surface: 526.323  Positive charged surface: 359.527  Negative charged surface: 166.796  Volume: 262.5
  Hydrophobic surface: 277.098  Hydrophilic surface: 249.225
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.