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PUBCHEM-ZINC05732702

 MMsINC code: MMs03363956
Type: Neutral
Formula: C10H21N3O2S
SMILES:   S(CCC(NC(=O)C)C(=O)NNC(C)C)C
InChI:   InChI=1/C10H21N3O2S/c1-7(2)12-13-10(15)9(5-6-16-4)11-8(3)14/h7,9,12H,5-6H2,1-4H3,(H,11,14)(H,13,15)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=62.6949 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.363 g/mol  logS: -1.4884  SlogP: 0.2734  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0808848  Sterimol/B1: 2.26547  Sterimol/B2: 4.65766  Sterimol/B3: 4.91378
  Sterimol/B4: 6.12425  Sterimol/L: 14.2959 
 
 Surface and Volume Properties
  Accessible surface: 520.08  Positive charged surface: 340.738  Negative charged surface: 179.342  Volume: 247
  Hydrophobic surface: 346.993  Hydrophilic surface: 173.087
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.