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CHEMBRIDGE-ZINC02954237

 MMsINC code: MMs00743335
Type: Neutral
Formula: C15H26N2O2
SMILES:   O=C1N(CC(C1)C(=O)NCCCC)C1CCCCC1
InChI:   InChI=1/C15H26N2O2/c1-2-3-9-16-15(19)12-10-14(18)17(11-12)13-7-5-4-6-8-13/h12-13H,2-11H2,1H3,(H,16,19)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=8.00315 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.385 g/mol  logS: -2.13227  SlogP: 2.0839  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.055831  Sterimol/B1: 3.3011  Sterimol/B2: 3.71748  Sterimol/B3: 4.07095
  Sterimol/B4: 5.28617  Sterimol/L: 17.1092 
 
 Surface and Volume Properties
  Accessible surface: 541.539  Positive charged surface: 423.9  Negative charged surface: 117.64  Volume: 283.75
  Hydrophobic surface: 455.368  Hydrophilic surface: 86.171
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.