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MAYBRIDGE-ZINC00165177

 MMsINC code: MMs02144929
Type: Neutral
Formula: C10H18N4O
SMILES:   O=C(Nc1n(nc(c1)C)C(C)(C)C)NC
InChI:   InChI=1/C10H18N4O/c1-7-6-8(12-9(15)11-5)14(13-7)10(2,3)4/h6H,1-5H3,(H2,11,12,15)

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Potential Energy
Epot(MMFF94)=32.8143 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.281 g/mol  logS: -1.36452  SlogP: 2.00932  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10111  Sterimol/B1: 2.06388  Sterimol/B2: 3.62372  Sterimol/B3: 3.62489
  Sterimol/B4: 8.25299  Sterimol/L: 12.2882 
 
 Surface and Volume Properties
  Accessible surface: 445.77  Positive charged surface: 325.788  Negative charged surface: 119.982  Volume: 217.375
  Hydrophobic surface: 333.813  Hydrophilic surface: 111.957
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.