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BACHEM-ZINC02045132

 MMsINC code: MMs00482690
Type: Neutral
Formula: C10H18N2O4
SMILES:   O(CC=C)C(=O)NCCCCC(N)C(O)=O
InChI:   InChI=1/C10H18N2O4/c1-2-7-16-10(15)12-6-4-3-5-8(11)9(13)14/h2,8H,1,3-7,11H2,(H,12,15)(H,13,14)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=8.87171 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.264 g/mol  logS: -0.62867  SlogP: 0.4808  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0283606  Sterimol/B1: 2.24231  Sterimol/B2: 3.18861  Sterimol/B3: 3.63707
  Sterimol/B4: 3.76978  Sterimol/L: 17.9508 
 
 Surface and Volume Properties
  Accessible surface: 496.631  Positive charged surface: 337.338  Negative charged surface: 159.293  Volume: 223.625
  Hydrophobic surface: 222.714  Hydrophilic surface: 273.917
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.