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PUBCHEM-ZINC05843517

 MMsINC code: MMs03412141
Type: Neutral
Formula: C15H20N2O3
SMILES:   O=C1N(CC(=O)NCC(C)C)C(=O)C2C1C1CC2C=C1
InChI:   InChI=1/C15H20N2O3/c1-8(2)6-16-11(18)7-17-14(19)12-9-3-4-10(5-9)13(12)15(17)20/h3-4,8-10,12-13H,5-7H2,1-2H3,(H,16,18)/t9-,10+,12-,13+

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Potential Energy
Epot(MMFF94)=49.2717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.336 g/mol  logS: -1.44123  SlogP: 0.5657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0647787  Sterimol/B1: 2.83164  Sterimol/B2: 3.54094  Sterimol/B3: 4.04824
  Sterimol/B4: 4.92104  Sterimol/L: 16.2047 
 
 Surface and Volume Properties
  Accessible surface: 512.583  Positive charged surface: 359.118  Negative charged surface: 153.465  Volume: 264.75
  Hydrophobic surface: 350.011  Hydrophilic surface: 162.572
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.