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ASINEX-ZINC00396443

 MMsINC code: MMs00128225
Type: Neutral
Formula: C13H24N2O
SMILES:   O=C(NC1CCCCC1)N1CC(CCC1)C
InChI:   InChI=1/C13H24N2O/c1-11-6-5-9-15(10-11)13(16)14-12-7-3-2-4-8-12/h11-12H,2-10H2,1H3,(H,14,16)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=-3.00369 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.348 g/mol  logS: -1.9254  SlogP: 2.7606  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0813454  Sterimol/B1: 2.51048  Sterimol/B2: 3.23106  Sterimol/B3: 3.39253
  Sterimol/B4: 5.49072  Sterimol/L: 14.378 
 
 Surface and Volume Properties
  Accessible surface: 474.801  Positive charged surface: 381.658  Negative charged surface: 93.1429  Volume: 241.875
  Hydrophobic surface: 420.78  Hydrophilic surface: 54.021
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.