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PUBCHEM-ZINC05852974

 MMsINC code: MMs03417910
Type: Neutral
Formula: C11H27N3
SMILES:   N(CCCCNCC)CCCNCC
InChI:   InChI=1/C11H27N3/c1-3-12-8-5-6-9-14-11-7-10-13-4-2/h12-14H,3-11H2,1-2H3

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Potential Energy
Epot(MMFF94)=-14.3437 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.358 g/mol  logS: -0.15109  SlogP: 0.9653  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0166514  Sterimol/B1: 2.39828  Sterimol/B2: 2.47388  Sterimol/B3: 2.7551
  Sterimol/B4: 3.13634  Sterimol/L: 20.7265 
 
 Surface and Volume Properties
  Accessible surface: 539.218  Positive charged surface: 467.384  Negative charged surface: 71.8332  Volume: 247.375
  Hydrophobic surface: 436.382  Hydrophilic surface: 102.836
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03417911
PUBCHEM-ZINC05852974