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PUBCHEM-ZINC05688872

 MMsINC code: MMs03349275
Type: Neutral
Formula: C15H37N5
SMILES:   N(CCN(CCN(C)C)C)(CCN(CCN(C)C)C)C
InChI:   InChI=1/C15H37N5/c1-16(2)8-10-18(5)12-14-20(7)15-13-19(6)11-9-17(3)4/h8-15H2,1-7H3

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Potential Energy
Epot(MMFF94)=88.579 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.496 g/mol  logS: 0.92001  SlogP: -0.095  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0252114  Sterimol/B1: 2.11439  Sterimol/B2: 3.58191  Sterimol/B3: 4.11653
  Sterimol/B4: 4.75227  Sterimol/L: 21.6578 
 
 Surface and Volume Properties
  Accessible surface: 638.922  Positive charged surface: 628.346  Negative charged surface: 10.5756  Volume: 340.125
  Hydrophobic surface: 628.346  Hydrophilic surface: 10.576
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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


MMs03349276
PUBCHEM-ZINC05688872