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CHEMDIV-ZINC00426545

 MMsINC code: MMs00851636
Type: Neutral
Formula: C15H22N2O2
SMILES:   o1nc(c2CCCCCc12)C(=O)NC1CCCCC1
InChI:   InChI=1/C15H22N2O2/c18-15(16-11-7-3-1-4-8-11)14-12-9-5-2-6-10-13(12)19-17-14/h11H,1-10H2,(H,16,18)

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Potential Energy
Epot(MMFF94)=50.8206 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.353 g/mol  logS: -3.40545  SlogP: 3.00594  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0501338  Sterimol/B1: 2.77112  Sterimol/B2: 3.09837  Sterimol/B3: 3.79976
  Sterimol/B4: 4.97254  Sterimol/L: 15.6576 
 
 Surface and Volume Properties
  Accessible surface: 498.025  Positive charged surface: 372.048  Negative charged surface: 125.976  Volume: 263
  Hydrophobic surface: 432.784  Hydrophilic surface: 65.241
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.