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CHEMDIV-ZINC00219825

 MMsINC code: MMs00843070
Type: Neutral
Formula: C16H26N2O2
SMILES:   O=C1N(C(CC1)C(=O)NC1CCCCC1)C1CCCC1
InChI:   InChI=1/C16H26N2O2/c19-15-11-10-14(18(15)13-8-4-5-9-13)16(20)17-12-6-2-1-3-7-12/h12-14H,1-11H2,(H,17,20)/t14-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.7668 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.396 g/mol  logS: -2.48928  SlogP: 2.3689  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103178  Sterimol/B1: 3.42065  Sterimol/B2: 3.50604  Sterimol/B3: 4.24841
  Sterimol/B4: 5.66782  Sterimol/L: 15.0407 
 
 Surface and Volume Properties
  Accessible surface: 519.232  Positive charged surface: 410.601  Negative charged surface: 108.631  Volume: 286
  Hydrophobic surface: 479.673  Hydrophilic surface: 39.559
 
 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.