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PUBCHEM-ZINC06974228

 MMsINC code: MMs03908333
Type: Neutral
Formula: C14H24N6O3+2
SMILES:   O1CC[N+](CC1)=C1NC=2N(C)C(=O)N(C)C(=O)C=2N1CCC[NH3+]
InChI:   InChI=1/C14H22N6O3/c1-17-11-10(12(21)18(2)14(17)22)20(5-3-4-15)13(16-11)19-6-8-23-9-7-19/h3-9,15H2,1-2H3/p+2

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Potential Energy
Epot(MMFF94)=18.6863 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.385 g/mol  logS: -0.80263  SlogP: -2.3848  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0702681  Sterimol/B1: 2.04817  Sterimol/B2: 2.59395  Sterimol/B3: 3.62478
  Sterimol/B4: 10.5169  Sterimol/L: 13.5524 
 
 Surface and Volume Properties
  Accessible surface: 555.187  Positive charged surface: 500.593  Negative charged surface: 54.5944  Volume: 307.75
  Hydrophobic surface: 374.364  Hydrophilic surface: 180.823
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 4
  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.