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ASINEX-ZINC04969273

 MMsINC code: MMs00418266
Type: Neutral
Formula: C10H20N2O2
SMILES:   O(CCNC(C(=O)N1CCCC1)C)C
InChI:   InChI=1/C10H20N2O2/c1-9(11-5-8-14-2)10(13)12-6-3-4-7-12/h9,11H,3-8H2,1-2H3/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=55.6891 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -0.44629  SlogP: 0.2333  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0638446  Sterimol/B1: 2.30648  Sterimol/B2: 2.54623  Sterimol/B3: 4.30441
  Sterimol/B4: 5.69411  Sterimol/L: 14.2285 
 
 Surface and Volume Properties
  Accessible surface: 450.827  Positive charged surface: 376.257  Negative charged surface: 74.5699  Volume: 213.5
  Hydrophobic surface: 377.762  Hydrophilic surface: 73.065
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00418267
ASINEX-ZINC04969273