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PUBCHEM-ZINC01412206

 MMsINC code: MMs02802380
Type: Neutral
Formula: C14H24N2O2
SMILES:   O=C1N(CC1)C(CC)(C(=O)NC1CCCCC1)C
InChI:   InChI=1/C14H24N2O2/c1-3-14(2,16-10-9-12(16)17)13(18)15-11-7-5-4-6-8-11/h11H,3-10H2,1-2H3,(H,15,18)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=48.3553 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.358 g/mol  logS: -2.18778  SlogP: 1.8363  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160095  Sterimol/B1: 2.33471  Sterimol/B2: 3.05208  Sterimol/B3: 5.76588
  Sterimol/B4: 5.94724  Sterimol/L: 13.4535 
 
 Surface and Volume Properties
  Accessible surface: 476.957  Positive charged surface: 290.834  Negative charged surface: 124.19  Volume: 262.625
  Hydrophobic surface: 377.523  Hydrophilic surface: 99.434
 
 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.