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NIH-ZINC00219806

 MMsINC code: MMs02520565
Type: Neutral
Formula: C15H24N2O2
SMILES:   O=C1N(C(CC1)C(=O)NC1CCCC1)C1CCCC1
InChI:   InChI=1/C15H24N2O2/c18-14-10-9-13(17(14)12-7-3-4-8-12)15(19)16-11-5-1-2-6-11/h11-13H,1-10H2,(H,16,19)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=49.6181 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.369 g/mol  logS: -1.97406  SlogP: 1.9788  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0773693  Sterimol/B1: 2.54124  Sterimol/B2: 3.20855  Sterimol/B3: 3.53883
  Sterimol/B4: 6.67087  Sterimol/L: 14.9275 
 
 Surface and Volume Properties
  Accessible surface: 510.928  Positive charged surface: 392.982  Negative charged surface: 117.945  Volume: 272.75
  Hydrophobic surface: 468.214  Hydrophilic surface: 42.714
 
 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.