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NCID-ZINC01698695

 MMsINC code: MMs02329001
Type: Neutral
Formula: C11H26N10
SMILES:   n1c(nc(nc1NCCN)NCCN)N(CCN)CCN
InChI:   InChI=1/C11H26N10/c12-1-5-16-9-18-10(17-6-2-13)20-11(19-9)21(7-3-14)8-4-15/h1-8,12-15H2,(H2,16,17,18,19,20)

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Potential Energy
Epot(MMFF94)=-35.1581 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.399 g/mol  logS: -0.54119  SlogP: -2.6634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0680218  Sterimol/B1: 2.23778  Sterimol/B2: 2.69435  Sterimol/B3: 3.85114
  Sterimol/B4: 9.72756  Sterimol/L: 13.2597 
 
 Surface and Volume Properties
  Accessible surface: 614.339  Positive charged surface: 547.672  Negative charged surface: 66.6677  Volume: 301.125
  Hydrophobic surface: 252.211  Hydrophilic surface: 362.128
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs02329002
NCID-ZINC01698695