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ENAMINE-ZINC04674910

 MMsINC code: MMs01550978
Type: Neutral
Formula: C10H15N5O2
SMILES:   O(C)c1cc(OC)ccc1NC(NC(N)=N)=N
InChI:   InChI=1/C10H15N5O2/c1-16-6-3-4-7(8(5-6)17-2)14-10(13)15-9(11)12/h3-5H,1-2H3,(H6,11,12,13,14,15)

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Potential Energy
Epot(MMFF94)=39.5251 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.263 g/mol  logS: -2.26499  SlogP: 0.53354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0277265  Sterimol/B1: 1.98946  Sterimol/B2: 2.44711  Sterimol/B3: 3.08648
  Sterimol/B4: 8.3875  Sterimol/L: 14.6731 
 
 Surface and Volume Properties
  Accessible surface: 462.885  Positive charged surface: 363.281  Negative charged surface: 99.6039  Volume: 219
  Hydrophobic surface: 256.805  Hydrophilic surface: 206.08
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 4  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


MMs01550979
ENAMINE-ZINC04674910