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PUBCHEM-ZINC06505147

 MMsINC code: MMs03774228
Type: Neutral
Formula: C10H12N4O
SMILES:   O=C(NN)c1ccn(C)c1-n1cccc1
InChI:   InChI=1/C10H12N4O/c1-13-7-4-8(9(15)12-11)10(13)14-5-2-3-6-14/h2-7H,11H2,1H3,(H,12,15)

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Potential Energy
Epot(MMFF94)=74.7927 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.233 g/mol  logS: -0.42651  SlogP: 0.7785  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0608624  Sterimol/B1: 2.81945  Sterimol/B2: 3.0656  Sterimol/B3: 3.22746
  Sterimol/B4: 7.26505  Sterimol/L: 11.3717 
 
 Surface and Volume Properties
  Accessible surface: 406.011  Positive charged surface: 253.308  Negative charged surface: 152.703  Volume: 197.625
  Hydrophobic surface: 242.867  Hydrophilic surface: 163.144
 
 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.