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PUBCHEM-ZINC05753235

 MMsINC code: MMs03371813
Type: Neutral
Formula: C14H23N7
SMILES:   n1nc(n(CCN2CCCCC2)c1-c1cnn(C)c1N)C
InChI:   InChI=1/C14H23N7/c1-11-17-18-14(12-10-16-19(2)13(12)15)21(11)9-8-20-6-4-3-5-7-20/h10H,3-9,15H2,1-2H3

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Potential Energy
Epot(MMFF94)=52.3042 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.387 g/mol  logS: -1.56957  SlogP: 1.68072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109696  Sterimol/B1: 2.52877  Sterimol/B2: 3.17748  Sterimol/B3: 4.31465
  Sterimol/B4: 8.99646  Sterimol/L: 13.9598 
 
 Surface and Volume Properties
  Accessible surface: 543.5  Positive charged surface: 412.053  Negative charged surface: 131.447  Volume: 289.625
  Hydrophobic surface: 433.574  Hydrophilic surface: 109.926
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs03371814
PUBCHEM-ZINC05753235