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ASINEX-ZINC04230529

 MMsINC code: MMs00319669
Type: Neutral
Formula: C13H23N5O
SMILES:   OC1CCN(CC1)Cc1nnnn1C1CCCCC1
InChI:   InChI=1/C13H23N5O/c19-12-6-8-17(9-7-12)10-13-14-15-16-18(13)11-4-2-1-3-5-11/h11-12,19H,1-10H2

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Potential Energy
Epot(MMFF94)=22.246 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.361 g/mol  logS: -0.75372  SlogP: 1.4969  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139536  Sterimol/B1: 2.50096  Sterimol/B2: 3.19976  Sterimol/B3: 3.86761
  Sterimol/B4: 6.5777  Sterimol/L: 13.5301 
 
 Surface and Volume Properties
  Accessible surface: 493.661  Positive charged surface: 356.261  Negative charged surface: 103.38  Volume: 263.25
  Hydrophobic surface: 406.007  Hydrophilic surface: 87.654
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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


MMs00319670
ASINEX-ZINC04230529