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PUBCHEM-ZINC06584945

 MMsINC code: MMs03809586
Type: Neutral
Formula: C14H25N5
SMILES:   n1c(NCCCCCN2CCCCC2)ccnc1N
InChI:   InChI=1/C14H25N5/c15-14-17-9-7-13(18-14)16-8-3-1-4-10-19-11-5-2-6-12-19/h7,9H,1-6,8,10-12H2,(H3,15,16,17,18)

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Potential Energy
Epot(MMFF94)=-19.3986 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.389 g/mol  logS: -1.97543  SlogP: 2.1269  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0221242  Sterimol/B1: 2.85434  Sterimol/B2: 2.86879  Sterimol/B3: 3.51951
  Sterimol/B4: 4.99417  Sterimol/L: 19.2426 
 
 Surface and Volume Properties
  Accessible surface: 557.375  Positive charged surface: 467.486  Negative charged surface: 89.8883  Volume: 280.875
  Hydrophobic surface: 415.039  Hydrophilic surface: 142.336
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs03809587
PUBCHEM-ZINC06584945