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ASINEX-ZINC04902351

 MMsINC code: MMs00399342
Type: Neutral
Formula: C10H19N3O3S
SMILES:   S(CCC(NC(=O)C)C(=O)NC(C(=O)N)C)C
InChI:   InChI=1/C10H19N3O3S/c1-6(9(11)15)12-10(16)8(4-5-17-3)13-7(2)14/h6,8H,4-5H2,1-3H3,(H2,11,15)(H,12,16)(H,13,14)/t6-,8+/m1/s1

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Potential Energy
Epot(MMFF94)=54.6078 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.346 g/mol  logS: -1.74246  SlogP: -0.7658  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0879854  Sterimol/B1: 2.06684  Sterimol/B2: 4.28932  Sterimol/B3: 4.88981
  Sterimol/B4: 6.27996  Sterimol/L: 14.517 
 
 Surface and Volume Properties
  Accessible surface: 508.614  Positive charged surface: 325.529  Negative charged surface: 183.085  Volume: 246.25
  Hydrophobic surface: 282.241  Hydrophilic surface: 226.373
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.