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BACHEM-ZINC02526290

 MMsINC code: MMs00483459
Type: Neutral
Formula: C10H22N4O2
SMILES:   O(C(C)(C)C)C(=O)C(N)CCCNC(N)=N
InChI:   InChI=1/C10H22N4O2/c1-10(2,3)16-8(15)7(11)5-4-6-14-9(12)13/h7H,4-6,11H2,1-3H3,(H4,12,13,14)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=10.0683 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.312 g/mol  logS: -1.39578  SlogP: -0.08133  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0590499  Sterimol/B1: 3.43018  Sterimol/B2: 3.59505  Sterimol/B3: 3.8558
  Sterimol/B4: 4.64792  Sterimol/L: 15.9369 
 
 Surface and Volume Properties
  Accessible surface: 498.702  Positive charged surface: 365.965  Negative charged surface: 132.737  Volume: 238.375
  Hydrophobic surface: 225.157  Hydrophilic surface: 273.545
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00483460
BACHEM-ZINC02526290