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ENAMINE-ZINC03549866

 MMsINC code: MMs01502870
Type: Neutral
Formula: C16H24N2O3
SMILES:   O=C1N(CC(=O)NC2CCCCC2)C(=O)C2C1CCCC2
InChI:   InChI=1/C16H24N2O3/c19-14(17-11-6-2-1-3-7-11)10-18-15(20)12-8-4-5-9-13(12)16(18)21/h11-13H,1-10H2,(H,17,19)/t12-,13-/m1/s1

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Potential Energy
Epot(MMFF94)=19.0042 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.379 g/mol  logS: -2.93276  SlogP: 1.6105  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0651082  Sterimol/B1: 3.20245  Sterimol/B2: 3.35435  Sterimol/B3: 4.1973
  Sterimol/B4: 5.15323  Sterimol/L: 16.2297 
 
 Surface and Volume Properties
  Accessible surface: 540.602  Positive charged surface: 401.853  Negative charged surface: 138.749  Volume: 284.5
  Hydrophobic surface: 429.048  Hydrophilic surface: 111.554
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.