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PUBCHEM-ZINC06591682

 MMsINC code: MMs03810650
Type: Neutral
Formula: C13H26N2O2
SMILES:   O=C(N)C(C(C)(C)C)CC(=O)NC(CC)CC
InChI:   InChI=1/C13H26N2O2/c1-6-9(7-2)15-11(16)8-10(12(14)17)13(3,4)5/h9-10H,6-8H2,1-5H3,(H2,14,17)(H,15,16)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=45.4975 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.363 g/mol  logS: -2.6109  SlogP: 1.8289  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116171  Sterimol/B1: 2.16755  Sterimol/B2: 2.9086  Sterimol/B3: 4.00724
  Sterimol/B4: 7.18694  Sterimol/L: 12.4683 
 
 Surface and Volume Properties
  Accessible surface: 471.801  Positive charged surface: 342.057  Negative charged surface: 129.744  Volume: 260.5
  Hydrophobic surface: 292.489  Hydrophilic surface: 179.312
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.