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PUBCHEM-ZINC05572663

 MMsINC code: MMs03310563
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+/m1/s1

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Potential Energy
Epot(MMFF94)=66.7951 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: 0.0580252  Sterimol/B1: 2.31862  Sterimol/B2: 2.50038  Sterimol/B3: 4.08033
  Sterimol/B4: 6.3749  Sterimol/L: 15.2794 
 
 Surface and Volume Properties
  Accessible surface: 523.681  Positive charged surface: 435.532  Negative charged surface: 88.1488  Volume: 281.625
  Hydrophobic surface: 449.832  Hydrophilic surface: 73.849
 
 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


MMs03310564
PUBCHEM-ZINC05572663