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PUBCHEM-ZINC05591045

 MMsINC code: MMs03315702
Type: Neutral
Formula: C14H28N2O2
SMILES:   O1CCN(CC1)CCNC(=O)C(CCCC)CC
InChI:   InChI=1/C14H28N2O2/c1-3-5-6-13(4-2)14(17)15-7-8-16-9-11-18-12-10-16/h13H,3-12H2,1-2H3,(H,15,17)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=50.5042 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.39 g/mol  logS: -2.42426  SlogP: 1.6512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0509108  Sterimol/B1: 2.77831  Sterimol/B2: 3.08118  Sterimol/B3: 3.92753
  Sterimol/B4: 5.55772  Sterimol/L: 18.0136 
 
 Surface and Volume Properties
  Accessible surface: 550.086  Positive charged surface: 451.736  Negative charged surface: 98.3498  Volume: 278.25
  Hydrophobic surface: 454.254  Hydrophilic surface: 95.832
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs03315703
PUBCHEM-ZINC05591045