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PUBCHEM-ZINC05853872

 MMsINC code: MMs03418472
Type: Neutral
Formula: C14H29N7
SMILES:   n1c(nc(nc1NCCCCCCN)NCC)NC(C)C
InChI:   InChI=1/C14H29N7/c1-4-16-12-19-13(17-10-8-6-5-7-9-15)21-14(20-12)18-11(2)3/h11H,4-10,15H2,1-3H3,(H3,16,17,18,19,20,21)

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Potential Energy
Epot(MMFF94)=-77.9269 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.435 g/mol  logS: -3.12487  SlogP: 2.0547  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0229242  Sterimol/B1: 2.15536  Sterimol/B2: 3.13264  Sterimol/B3: 3.49619
  Sterimol/B4: 9.57527  Sterimol/L: 20.2222 
 
 Surface and Volume Properties
  Accessible surface: 644.606  Positive charged surface: 532.266  Negative charged surface: 112.339  Volume: 315.625
  Hydrophobic surface: 395.745  Hydrophilic surface: 248.861
 
 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


MMs03418473
PUBCHEM-ZINC05853872