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CHEMDIV-ZINC06799599

 MMsINC code: MMs01028051
Type: Neutral
Formula: C10H12N4O2
SMILES:   O=C1N(N=C(n2c1ccc2)C)CC(=O)NC
InChI:   InChI=1/C10H12N4O2/c1-7-12-14(6-9(15)11-2)10(16)8-4-3-5-13(7)8/h3-5H,6H2,1-2H3,(H,11,15)

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Potential Energy
Epot(MMFF94)=54.9997 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.232 g/mol  logS: -0.83794  SlogP: -0.1286  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0803194  Sterimol/B1: 2.28144  Sterimol/B2: 3.02847  Sterimol/B3: 3.36301
  Sterimol/B4: 7.24665  Sterimol/L: 13.5982 
 
 Surface and Volume Properties
  Accessible surface: 429.694  Positive charged surface: 284.287  Negative charged surface: 145.407  Volume: 203
  Hydrophobic surface: 295.429  Hydrophilic surface: 134.265
 
 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.