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ASINEX-ZINC00307630

 MMsINC code: MMs00115300
Type: Neutral
Formula: C10H16N2OS
SMILES:   S=C1NC(C)C(=O)N1C1CCCCC1
InChI:   InChI=1/C10H16N2OS/c1-7-9(13)12(10(14)11-7)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,11,14)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=34.2068 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.317 g/mol  logS: -3.0678  SlogP: 1.4243  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146724  Sterimol/B1: 2.86277  Sterimol/B2: 3.77633  Sterimol/B3: 4.20487
  Sterimol/B4: 4.73778  Sterimol/L: 12.3511 
 
 Surface and Volume Properties
  Accessible surface: 405.349  Positive charged surface: 264.649  Negative charged surface: 140.7  Volume: 203.75
  Hydrophobic surface: 265.713  Hydrophilic surface: 139.636
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.