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PUBCHEM-ZINC05572662

 MMsINC code: MMs03310561
Type: Neutral
Formula: C14H31N3
SMILES:   N(CCNCC1N(C)C(CCC1)C)(CC)CC
InChI:   InChI=1/C14H31N3/c1-5-17(6-2)11-10-15-12-14-9-7-8-13(3)16(14)4/h13-15H,5-12H2,1-4H3/t13-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=61.6248 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.423 g/mol  logS: -0.88904  SlogP: 1.7906  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0435709  Sterimol/B1: 2.3112  Sterimol/B2: 2.5483  Sterimol/B3: 3.60089
  Sterimol/B4: 6.78863  Sterimol/L: 15.3344 
 
 Surface and Volume Properties
  Accessible surface: 533.831  Positive charged surface: 446.475  Negative charged surface: 87.3562  Volume: 282
  Hydrophobic surface: 456.64  Hydrophilic surface: 77.191
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03310562
PUBCHEM-ZINC05572662