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CHEMDIV-ZINC06799487

 MMsINC code: MMs01027935
Type: Neutral
Formula: C11H14N4O2
SMILES:   O=C1N(N=Cn2c1ccc2)CC(=O)NC(C)C
InChI:   InChI=1/C11H14N4O2/c1-8(2)13-10(16)6-15-11(17)9-4-3-5-14(9)7-12-15/h3-5,7-8H,6H2,1-2H3,(H,13,16)

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Potential Energy
Epot(MMFF94)=51.0313 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.259 g/mol  logS: -1.38128  SlogP: 0.2599  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0642387  Sterimol/B1: 2.73683  Sterimol/B2: 3.48084  Sterimol/B3: 3.8973
  Sterimol/B4: 4.57636  Sterimol/L: 14.7228 
 
 Surface and Volume Properties
  Accessible surface: 460.522  Positive charged surface: 293.225  Negative charged surface: 167.297  Volume: 222.375
  Hydrophobic surface: 273.344  Hydrophilic surface: 187.178
 
 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.