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ENAMINE-ZINC03381764

 MMsINC code: MMs01407380
Type: Neutral
Formula: C15H22N2O6
SMILES:   O=C1N(CC(OCC(=O)NCCOC)=O)C(=O)C2C1CCCC2
InChI:   InChI=1/C15H22N2O6/c1-22-7-6-16-12(18)9-23-13(19)8-17-14(20)10-4-2-3-5-11(10)15(17)21/h10-11H,2-9H2,1H3,(H,16,18)/t10-,11-/m1/s1

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Potential Energy
Epot(MMFF94)=35.9803 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.349 g/mol  logS: -2.01243  SlogP: -0.5326  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0398071  Sterimol/B1: 2.31468  Sterimol/B2: 4.03653  Sterimol/B3: 4.12102
  Sterimol/B4: 6.23383  Sterimol/L: 19.3807 
 
 Surface and Volume Properties
  Accessible surface: 601.912  Positive charged surface: 455.43  Negative charged surface: 146.482  Volume: 301
  Hydrophobic surface: 430.792  Hydrophilic surface: 171.12
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.