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IBS-ZINC00526476

 MMsINC code: MMs01746550
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+/m1/s1

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Potential Energy
Epot(MMFF94)=-0.655133 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: 0.169151  Sterimol/B1: 1.97102  Sterimol/B2: 4.65198  Sterimol/B3: 4.92359
  Sterimol/B4: 5.0544  Sterimol/L: 11.2708 
 
 Surface and Volume Properties
  Accessible surface: 419.993  Positive charged surface: 339.102  Negative charged surface: 80.8908  Volume: 220.625
  Hydrophobic surface: 315.595  Hydrophilic surface: 104.398
 
 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.