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ASINEX-ZINC04384408

 MMsINC code: MMs00329112
Type: Neutral
Formula: C9H16N2O3
SMILES:   OC(=O)C1CCN(CC1)CCC(=O)N
InChI:   InChI=1/C9H16N2O3/c10-8(12)3-6-11-4-1-7(2-5-11)9(13)14/h7H,1-6H2,(H2,10,12)(H,13,14)

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Potential Energy
Epot(MMFF94)=-1.45331 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.238 g/mol  logS: 0.04639  SlogP: -0.3416  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0622658  Sterimol/B1: 2.55812  Sterimol/B2: 2.69996  Sterimol/B3: 3.53412
  Sterimol/B4: 4.76846  Sterimol/L: 13.9635 
 
 Surface and Volume Properties
  Accessible surface: 411.266  Positive charged surface: 310.43  Negative charged surface: 100.836  Volume: 189.5
  Hydrophobic surface: 208.22  Hydrophilic surface: 203.046
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.