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NCID-ZINC01604630

 MMsINC code: MMs02257050
Type: Neutral
Formula: C13H23NO2
SMILES:   O=C1N(CC(CCCC)CC)C(=O)CCC1
InChI:   InChI=1/C13H23NO2/c1-3-5-7-11(4-2)10-14-12(15)8-6-9-13(14)16/h11H,3-10H2,1-2H3/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=14.5296 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.332 g/mol  logS: -2.95051  SlogP: 2.7419  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100824  Sterimol/B1: 2.55049  Sterimol/B2: 3.25732  Sterimol/B3: 3.76679
  Sterimol/B4: 6.99265  Sterimol/L: 14.075 
 
 Surface and Volume Properties
  Accessible surface: 470.881  Positive charged surface: 347.057  Negative charged surface: 123.823  Volume: 242.875
  Hydrophobic surface: 371.771  Hydrophilic surface: 99.11
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.