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CHEMBLOCK-ZINC02356751

 MMsINC code: MMs00531400
Type: Neutral
Formula: C15H20N4O2
SMILES:   O(CCN1CCn2c(nc3cc(NC(=O)C)ccc23)C1)C
InChI:   InChI=1/C15H20N4O2/c1-11(20)16-12-3-4-14-13(9-12)17-15-10-18(7-8-21-2)5-6-19(14)15/h3-4,9H,5-8,10H2,1-2H3,(H,16,20)

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Potential Energy
Epot(MMFF94)=70.5919 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.351 g/mol  logS: -1.90279  SlogP: 1.9895  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0509682  Sterimol/B1: 3.05429  Sterimol/B2: 3.539  Sterimol/B3: 4.03115
  Sterimol/B4: 6.29689  Sterimol/L: 16.8454 
 
 Surface and Volume Properties
  Accessible surface: 545.032  Positive charged surface: 419.109  Negative charged surface: 125.923  Volume: 280.25
  Hydrophobic surface: 453.8  Hydrophilic surface: 91.232
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs00531401
CHEMBLOCK-ZINC02356751