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CHEMDIV-ZINC00246635

 MMsINC code: MMs00845831
Type: Neutral
Formula: C15H26N2O2
SMILES:   O=C(NC1CCCCC1)C1(NC(=O)C)CCCCC1
InChI:   InChI=1/C15H26N2O2/c1-12(18)17-15(10-6-3-7-11-15)14(19)16-13-8-4-2-5-9-13/h13H,2-11H2,1H3,(H,16,19)(H,17,18)

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Potential Energy
Epot(MMFF94)=39.9316 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.385 g/mol  logS: -2.88532  SlogP: 2.2743  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134489  Sterimol/B1: 2.18936  Sterimol/B2: 2.56882  Sterimol/B3: 4.31646
  Sterimol/B4: 7.2833  Sterimol/L: 14.5235 
 
 Surface and Volume Properties
  Accessible surface: 504.501  Positive charged surface: 379.114  Negative charged surface: 125.388  Volume: 277.75
  Hydrophobic surface: 459.897  Hydrophilic surface: 44.604
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.