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PUBCHEM-ZINC06593960

 MMsINC code: MMs03812395
Type: Neutral
Formula: C12H26N2O
SMILES:   O=C(NCCCN(CC)CC)CCCC
InChI:   InChI=1/C12H26N2O/c1-4-7-9-12(15)13-10-8-11-14(5-2)6-3/h4-11H2,1-3H3,(H,13,15)

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Potential Energy
Epot(MMFF94)=8.20829 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.353 g/mol  logS: -1.75676  SlogP: 2.0247  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0312587  Sterimol/B1: 2.94318  Sterimol/B2: 3.36187  Sterimol/B3: 3.90229
  Sterimol/B4: 4.87297  Sterimol/L: 17.1109 
 
 Surface and Volume Properties
  Accessible surface: 527.999  Positive charged surface: 418.569  Negative charged surface: 109.429  Volume: 250.5
  Hydrophobic surface: 407.135  Hydrophilic surface: 120.864
 
 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


MMs03812396
PUBCHEM-ZINC06593960