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ASINEX-ZINC04132096

 MMsINC code: MMs00308378
Type: Neutral
Formula: C11H18N4O2
SMILES:   O=[N+]([O-])c1nc(n(c1)CCN1CCCCC1)C
InChI:   InChI=1/C11H18N4O2/c1-10-12-11(15(16)17)9-14(10)8-7-13-5-3-2-4-6-13/h9H,2-8H2,1H3

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Potential Energy
Epot(MMFF94)=50.176 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.291 g/mol  logS: -1.62893  SlogP: 1.85202  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0768228  Sterimol/B1: 2.27272  Sterimol/B2: 2.72441  Sterimol/B3: 3.96772
  Sterimol/B4: 6.56105  Sterimol/L: 15.1463 
 
 Surface and Volume Properties
  Accessible surface: 464.939  Positive charged surface: 304.512  Negative charged surface: 160.427  Volume: 231
  Hydrophobic surface: 332.153  Hydrophilic surface: 132.786
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs00308379
ASINEX-ZINC04132096