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IBS-ZINC00526474

 MMsINC code: MMs01746549
Type: Neutral
Formula: C10H18N4O2
SMILES:   O=C1N(C2N(C)C(=O)N(C2N1C)C)C(C)C
InChI:   InChI=1/C10H18N4O2/c1-6(2)14-8-7(12(4)10(14)16)11(3)9(15)13(8)5/h6-8H,1-5H3/t7-,8+/m0/s1

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Potential Energy
Epot(MMFF94)=-3.94804 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.28 g/mol  logS: 0.09228  SlogP: 0.4116  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169367  Sterimol/B1: 2.80751  Sterimol/B2: 3.60811  Sterimol/B3: 4.08569
  Sterimol/B4: 6.54168  Sterimol/L: 11.423 
 
 Surface and Volume Properties
  Accessible surface: 417.82  Positive charged surface: 336.952  Negative charged surface: 80.8676  Volume: 222.25
  Hydrophobic surface: 313.916  Hydrophilic surface: 103.904
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.