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NCID-ZINC01754774

 MMsINC code: MMs02364048
Type: Neutral
Formula: C11H18N2O4
SMILES:   O=C1N(CC(OCC)=O)C(=O)NC1(CC)CC
InChI:   InChI=1/C11H18N2O4/c1-4-11(5-2)9(15)13(10(16)12-11)7-8(14)17-6-3/h4-7H2,1-3H3,(H,12,16)

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Potential Energy
Epot(MMFF94)=9.58914 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.275 g/mol  logS: -1.82783  SlogP: 0.6601  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0880991  Sterimol/B1: 2.00159  Sterimol/B2: 3.53012  Sterimol/B3: 4.37865
  Sterimol/B4: 6.9618  Sterimol/L: 13.9169 
 
 Surface and Volume Properties
  Accessible surface: 462.818  Positive charged surface: 317.953  Negative charged surface: 144.865  Volume: 230.875
  Hydrophobic surface: 290.724  Hydrophilic surface: 172.094
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.