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PUBCHEM-ZINC05188253

 MMsINC code: MMs03221768
Type: Neutral
Formula: C14H26N2O2
SMILES:   OC(=O)NC1CCC(CC1)CC1CCC(N)CC1
InChI:   InChI=1/C14H26N2O2/c15-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)16-14(17)18/h10-13,16H,1-9,15H2,(H,17,18)/t10-,11-,12-,13+

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Potential Energy
Epot(MMFF94)=-3.80822 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.374 g/mol  logS: -2.32558  SlogP: 2.7204  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115019  Sterimol/B1: 2.52635  Sterimol/B2: 3.04227  Sterimol/B3: 4.8244
  Sterimol/B4: 5.17538  Sterimol/L: 15.0178 
 
 Surface and Volume Properties
  Accessible surface: 493.347  Positive charged surface: 380.643  Negative charged surface: 112.704  Volume: 261.875
  Hydrophobic surface: 326.963  Hydrophilic surface: 166.384
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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


MMs03221769
PUBCHEM-ZINC05188253