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CHEMDIV-ZINC00220855

 MMsINC code: MMs00843452
Type: Neutral
Formula: C15H26N2O2
SMILES:   O=C1N(CC(C1)C(=O)NC1CCCCC1)C(CC)C
InChI:   InChI=1/C15H26N2O2/c1-3-11(2)17-10-12(9-14(17)18)15(19)16-13-7-5-4-6-8-13/h11-13H,3-10H2,1-2H3,(H,16,19)/t11-,12+/m0/s1

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Potential Energy
Epot(MMFF94)=12.1874 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.385 g/mol  logS: -1.94426  SlogP: 2.0823  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0903164  Sterimol/B1: 3.26716  Sterimol/B2: 3.30792  Sterimol/B3: 4.42309
  Sterimol/B4: 5.24776  Sterimol/L: 16.0288 
 
 Surface and Volume Properties
  Accessible surface: 521.965  Positive charged surface: 396.861  Negative charged surface: 125.103  Volume: 279.875
  Hydrophobic surface: 429.577  Hydrophilic surface: 92.388
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.