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ASINEX-ZINC03877854

 MMsINC code: MMs00291142
Type: Neutral
Formula: C10H14N4O2
SMILES:   O=[N+]([O-])c1ccc(N2CCNCC2)cc1N
InChI:   InChI=1/C10H14N4O2/c11-9-7-8(1-2-10(9)14(15)16)13-5-3-12-4-6-13/h1-2,7,12H,3-6,11H2

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Potential Energy
Epot(MMFF94)=139.197 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.248 g/mol  logS: -1.73918  SlogP: 0.5866  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0418381  Sterimol/B1: 2.65045  Sterimol/B2: 2.96515  Sterimol/B3: 3.03403
  Sterimol/B4: 5.4273  Sterimol/L: 13.0638 
 
 Surface and Volume Properties
  Accessible surface: 416.156  Positive charged surface: 282.996  Negative charged surface: 133.16  Volume: 203.625
  Hydrophobic surface: 244.253  Hydrophilic surface: 171.903
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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


MMs00291143
ASINEX-ZINC03877854