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MAYBRIDGE-ZINC00165171

 MMsINC code: MMs02144927
Type: Neutral
Formula: C15H20N4O
SMILES:   O=C(Nc1ccccc1)Nc1n(nc(c1)C)C(C)(C)C
InChI:   InChI=1/C15H20N4O/c1-11-10-13(19(18-11)15(2,3)4)17-14(20)16-12-8-6-5-7-9-12/h5-10H,1-4H3,(H2,16,17,20)

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Potential Energy
Epot(MMFF94)=70.7753 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.352 g/mol  logS: -3.18838  SlogP: 3.90202  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0561472  Sterimol/B1: 1.97238  Sterimol/B2: 3.13617  Sterimol/B3: 4.09347
  Sterimol/B4: 8.31926  Sterimol/L: 15.2198 
 
 Surface and Volume Properties
  Accessible surface: 535.248  Positive charged surface: 333.267  Negative charged surface: 201.981  Volume: 276.25
  Hydrophobic surface: 437.072  Hydrophilic surface: 98.176
 
 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.