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ASINEX-ZINC04902349

 MMsINC code: MMs00399341
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-/m0/s1

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Potential Energy
Epot(MMFF94)=55.1303 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: 0.0659354  Sterimol/B1: 2.44047  Sterimol/B2: 4.12487  Sterimol/B3: 5.15926
  Sterimol/B4: 5.33888  Sterimol/L: 14.2808 
 
 Surface and Volume Properties
  Accessible surface: 512.732  Positive charged surface: 328.523  Negative charged surface: 184.209  Volume: 245.625
  Hydrophobic surface: 286.07  Hydrophilic surface: 226.662
 
 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.