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ASINEX-ZINC00151479

 MMsINC code: MMs00082935
Type: Neutral
Formula: C10H18N2O3
SMILES:   O=C1N(CC(C1)C(O)=O)CCCN(C)C
InChI:   InChI=1/C10H18N2O3/c1-11(2)4-3-5-12-7-8(10(14)15)6-9(12)13/h8H,3-7H2,1-2H3,(H,14,15)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=6.19824 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.265 g/mol  logS: 0.46014  SlogP: -0.1288  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116313  Sterimol/B1: 3.21374  Sterimol/B2: 3.3051  Sterimol/B3: 4.14391
  Sterimol/B4: 4.96028  Sterimol/L: 12.6239 
 
 Surface and Volume Properties
  Accessible surface: 439.621  Positive charged surface: 356.476  Negative charged surface: 83.1447  Volume: 211.875
  Hydrophobic surface: 314.409  Hydrophilic surface: 125.212
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.