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PUBCHEM-ZINC05840434

 MMsINC code: MMs03410494
Type: Neutral
Formula: C13H25N3
SMILES:   N(=C(/NC1CCCCC1)\N)/C1CCCCC1
InChI:   InChI=1/C13H25N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H3,14,15,16)

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Potential Energy
Epot(MMFF94)=-9.76066 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.364 g/mol  logS: -2.74737  SlogP: 2.5561  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0662446  Sterimol/B1: 3.29576  Sterimol/B2: 3.40038  Sterimol/B3: 3.41259
  Sterimol/B4: 4.17776  Sterimol/L: 15.4491 
 
 Surface and Volume Properties
  Accessible surface: 486.374  Positive charged surface: 395.285  Negative charged surface: 91.0884  Volume: 247.375
  Hydrophobic surface: 420.387  Hydrophilic surface: 65.987
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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: no related molecules available.