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CHEMDIV-ZINC04687134

 MMsINC code: MMs00942153
Type: Neutral
Formula: C15H26N2O2
SMILES:   O=C1N(CC(C1)C(=O)NC(C)C)C1CCCCCC1
InChI:   InChI=1/C15H26N2O2/c1-11(2)16-15(19)12-9-14(18)17(10-12)13-7-5-3-4-6-8-13/h11-13H,3-10H2,1-2H3,(H,16,19)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=28.2546 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.385 g/mol  logS: -2.25771  SlogP: 2.0823  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0899087  Sterimol/B1: 2.38108  Sterimol/B2: 3.0896  Sterimol/B3: 4.84774
  Sterimol/B4: 5.82619  Sterimol/L: 14.9614 
 
 Surface and Volume Properties
  Accessible surface: 516.611  Positive charged surface: 389.324  Negative charged surface: 127.286  Volume: 280.125
  Hydrophobic surface: 419.283  Hydrophilic surface: 97.328
 
 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.