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ENAMINE-ZINC07005581

 MMsINC code: MMs01719222
Type: Neutral
Formula: C13H22N2O2
SMILES:   O=C1N(CC(C)C)C(=O)NC12CCCCC2C
InChI:   InChI=1/C13H22N2O2/c1-9(2)8-15-11(16)13(14-12(15)17)7-5-4-6-10(13)3/h9-10H,4-8H2,1-3H3,(H,14,17)/t10-,13+/m0/s1

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Potential Energy
Epot(MMFF94)=12.3475 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.331 g/mol  logS: -2.43815  SlogP: 2.1431  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122593  Sterimol/B1: 2.11594  Sterimol/B2: 3.03821  Sterimol/B3: 4.77461
  Sterimol/B4: 6.54695  Sterimol/L: 13.2671 
 
 Surface and Volume Properties
  Accessible surface: 443.327  Positive charged surface: 310.336  Negative charged surface: 132.991  Volume: 242.75
  Hydrophobic surface: 320.659  Hydrophilic surface: 122.668
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.