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ASINEX-ZINC02860730

 MMsINC code: MMs00279567
Type: Neutral
Formula: C10H16N2O4
SMILES:   O=C1NCCN(C(=O)CC)C1CC(OC)=O
InChI:   InChI=1/C10H16N2O4/c1-3-8(13)12-5-4-11-10(15)7(12)6-9(14)16-2/h7H,3-6H2,1-2H3,(H,11,15)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=66.8821 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.248 g/mol  logS: -0.47775  SlogP: -0.7135  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.32307  Sterimol/B1: 2.40877  Sterimol/B2: 3.58767  Sterimol/B3: 3.65639
  Sterimol/B4: 7.88983  Sterimol/L: 10.5536 
 
 Surface and Volume Properties
  Accessible surface: 412.402  Positive charged surface: 323.219  Negative charged surface: 89.183  Volume: 208.25
  Hydrophobic surface: 293.55  Hydrophilic surface: 118.852
 
 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: no related molecules available.