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ASINEX-ZINC04218630

 MMsINC code: MMs00319126
Type: Neutral
Formula: C10H19N4+
SMILES:   [NH+]1(CCC(n2nccc2N)CC1)CC
InChI:   InChI=1/C10H18N4/c1-2-13-7-4-9(5-8-13)14-10(11)3-6-12-14/h3,6,9H,2,4-5,7-8,11H2,1H3/p+1

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Potential Energy
Epot(MMFF94)=15.8684 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.29 g/mol  logS: -0.50016  SlogP: -0.1995  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12671  Sterimol/B1: 3.1465  Sterimol/B2: 3.55986  Sterimol/B3: 4.10286
  Sterimol/B4: 4.21271  Sterimol/L: 13.8355 
 
 Surface and Volume Properties
  Accessible surface: 420.36  Positive charged surface: 345.526  Negative charged surface: 74.8338  Volume: 209.5
  Hydrophobic surface: 309.927  Hydrophilic surface: 110.433
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  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


MMs00319127
ASINEX-ZINC04218630