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PUBCHEM-ZINC05884164

 MMsINC code: MMs03427911
Type: Neutral
Formula: C8H18N2O4
SMILES:   O(C(N)C(NC(=O)C)CCO)CCO
InChI:   InChI=1/C8H18N2O4/c1-6(13)10-7(2-3-11)8(9)14-5-4-12/h7-8,11-12H,2-5,9H2,1H3,(H,10,13)/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=27.6281 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.242 g/mol  logS: 0.71811  SlogP: -1.8328  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0864557  Sterimol/B1: 2.62206  Sterimol/B2: 3.10404  Sterimol/B3: 3.19363
  Sterimol/B4: 6.76682  Sterimol/L: 12.7997 
 
 Surface and Volume Properties
  Accessible surface: 439.8  Positive charged surface: 339.868  Negative charged surface: 99.9314  Volume: 201.25
  Hydrophobic surface: 245.994  Hydrophilic surface: 193.806
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.