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ASINEX-ZINC00093606

 MMsINC code: MMs00073693
Type: Neutral
Formula: C10H18N2O3
SMILES:   OC(=O)CCCC(=O)N1CCN(CC1)C
InChI:   InChI=1/C10H18N2O3/c1-11-5-7-12(8-6-11)9(13)3-2-4-10(14)15/h2-8H2,1H3,(H,14,15)

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Potential Energy
Epot(MMFF94)=29.9289 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.265 g/mol  logS: 0.3347  SlogP: 0.0153  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0516169  Sterimol/B1: 2.55341  Sterimol/B2: 2.98583  Sterimol/B3: 3.99113
  Sterimol/B4: 4.70541  Sterimol/L: 15.4893 
 
 Surface and Volume Properties
  Accessible surface: 444.243  Positive charged surface: 359.778  Negative charged surface: 84.4656  Volume: 211.125
  Hydrophobic surface: 309.601  Hydrophilic surface: 134.642
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.