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ENAMINE-ZINC00377997

 MMsINC code: MMs01229285
Type: Tautomer
Formula: C11H19N5
SMILES:   n1c(cc(nc1NC(NC(C)(C)C)=N)C)C
InChI:   InChI=1/C11H19N5/c1-7-6-8(2)14-10(13-7)15-9(12)16-11(3,4)5/h6H,1-5H3,(H3,12,13,14,15,16)

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Potential Energy
Epot(MMFF94)=-6.83807 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.308 g/mol  logS: -2.74196  SlogP: 1.82821  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.071435  Sterimol/B1: 2.05584  Sterimol/B2: 3.47218  Sterimol/B3: 3.71293
  Sterimol/B4: 7.38025  Sterimol/L: 13.239 
 
 Surface and Volume Properties
  Accessible surface: 455.783  Positive charged surface: 322.579  Negative charged surface: 133.204  Volume: 230.875
  Hydrophobic surface: 312.162  Hydrophilic surface: 143.621
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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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Parent related molecule:


MMs01229284
ENAMINE-ZINC00377997