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ASINEX-ZINC00209232

 MMsINC code: MMs00092761
Type: Neutral
Formula: C11H21N5O
SMILES:   O(C(C)C)c1nc(nc(n1)NCC)NC(C)C
InChI:   InChI=1/C11H21N5O/c1-6-12-9-14-10(13-7(2)3)16-11(15-9)17-8(4)5/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16)

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Potential Energy
Epot(MMFF94)=-56.6751 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.323 g/mol  logS: -3.53477  SlogP: 1.9109  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0836534  Sterimol/B1: 2.10793  Sterimol/B2: 3.30737  Sterimol/B3: 3.56189
  Sterimol/B4: 9.33651  Sterimol/L: 13.8348 
 
 Surface and Volume Properties
  Accessible surface: 519.628  Positive charged surface: 390.631  Negative charged surface: 128.997  Volume: 249.75
  Hydrophobic surface: 314.16  Hydrophilic surface: 205.468
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: no related molecules available.