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CHEMBLOCK-ZINC06668711

 MMsINC code: MMs00582967
Type: Neutral
Formula: C14H14N4O2
SMILES:   o1cccc1C(=O)Nc1nn(c2nc(cc(c12)C)C)C
InChI:   InChI=1/C14H14N4O2/c1-8-7-9(2)15-13-11(8)12(17-18(13)3)16-14(19)10-5-4-6-20-10/h4-7H,1-3H3,(H,16,17,19)

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Potential Energy
Epot(MMFF94)=56.8412 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.292 g/mol  logS: -4.36066  SlogP: 2.78964  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0105331  Sterimol/B1: 2.35996  Sterimol/B2: 2.51266  Sterimol/B3: 2.52807
  Sterimol/B4: 8.15974  Sterimol/L: 15.8883 
 
 Surface and Volume Properties
  Accessible surface: 514.435  Positive charged surface: 324.961  Negative charged surface: 183.937  Volume: 255.25
  Hydrophobic surface: 443.174  Hydrophilic surface: 71.261
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.