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PUBCHEM-ZINC05819729

 MMsINC code: MMs03398837
Type: Neutral
Formula: C10H26N4
SMILES:   N(C(NCCCN)CCC)CCCN
InChI:   InChI=1/C10H26N4/c1-2-5-10(13-8-3-6-11)14-9-4-7-12/h10,13-14H,2-9,11-12H2,1H3

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Potential Energy
Epot(MMFF94)=-27.0492 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.346 g/mol  logS: 0.16439  SlogP: -0.0106  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0793646  Sterimol/B1: 2.1864  Sterimol/B2: 2.80246  Sterimol/B3: 3.01393
  Sterimol/B4: 10.2448  Sterimol/L: 13.3366 
 
 Surface and Volume Properties
  Accessible surface: 506.321  Positive charged surface: 433.282  Negative charged surface: 73.0384  Volume: 237.625
  Hydrophobic surface: 318.693  Hydrophilic surface: 187.628
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs03398838
PUBCHEM-ZINC05819729