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CHEMDIV-ZINC06656364

 MMsINC code: MMs00999060
Type: Neutral
Formula: C15H26N2O2
SMILES:   O=C1N(C(CC1)C(=O)NCCCC)C1CCCCC1
InChI:   InChI=1/C15H26N2O2/c1-2-3-11-16-15(19)13-9-10-14(18)17(13)12-7-5-4-6-8-12/h12-13H,2-11H2,1H3,(H,16,19)/t13-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.7001 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.385 g/mol  logS: -2.57756  SlogP: 2.2264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0668225  Sterimol/B1: 3.124  Sterimol/B2: 3.38915  Sterimol/B3: 3.57862
  Sterimol/B4: 6.35916  Sterimol/L: 16.1792 
 
 Surface and Volume Properties
  Accessible surface: 532.952  Positive charged surface: 414.043  Negative charged surface: 118.908  Volume: 281.5
  Hydrophobic surface: 454.632  Hydrophilic surface: 78.32
 
 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.