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CHEMBRIDGE-ZINC00442603

 MMsINC code: MMs00616508
Type: Neutral
Formula: C14H26N2O
SMILES:   O=C(NC1CCCCC1)N1CC(CC(C1)C)C
InChI:   InChI=1/C14H26N2O/c1-11-8-12(2)10-16(9-11)14(17)15-13-6-4-3-5-7-13/h11-13H,3-10H2,1-2H3,(H,15,17)/t11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=5.78175 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.375 g/mol  logS: -2.12717  SlogP: 3.0066  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100239  Sterimol/B1: 2.08086  Sterimol/B2: 2.67373  Sterimol/B3: 4.87727
  Sterimol/B4: 6.12293  Sterimol/L: 14.0945 
 
 Surface and Volume Properties
  Accessible surface: 489.864  Positive charged surface: 388.944  Negative charged surface: 100.92  Volume: 260.25
  Hydrophobic surface: 423.625  Hydrophilic surface: 66.239
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.