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NCID-ZINC00395829

 MMsINC code: MMs02215455
Type: Neutral
Formula: C14H26N2O
SMILES:   O=C(NC1CCCCC1C)NC1CCCCC1
InChI:   InChI=1/C14H26N2O/c1-11-7-5-6-10-13(11)16-14(17)15-12-8-3-2-4-9-12/h11-13H,2-10H2,1H3,(H2,15,16,17)/t11-,13-/m0/s1

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Potential Energy
Epot(MMFF94)=-11.3308 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.375 g/mol  logS: -2.74838  SlogP: 3.197  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0730484  Sterimol/B1: 2.15211  Sterimol/B2: 3.00607  Sterimol/B3: 3.83069
  Sterimol/B4: 6.56766  Sterimol/L: 15.4029 
 
 Surface and Volume Properties
  Accessible surface: 500.495  Positive charged surface: 398.222  Negative charged surface: 102.273  Volume: 260.5
  Hydrophobic surface: 432.41  Hydrophilic surface: 68.085
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.