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PUBCHEM-ZINC00339465

 MMsINC code: MMs02658847
Type: Neutral
Formula: C14H11ClN4O2
SMILES:   Clc1nc2c(nc1-c1ccccc1)N(C)C(=O)N(C)C2=O
InChI:   InChI=1/C14H11ClN4O2/c1-18-12-10(13(20)19(2)14(18)21)16-11(15)9(17-12)8-6-4-3-5-7-8/h3-7H,1-2H3

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Potential Energy
Epot(MMFF94)=85.4786 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.721 g/mol  logS: -3.11455  SlogP: 2.4388  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0229999  Sterimol/B1: 2.00686  Sterimol/B2: 2.27019  Sterimol/B3: 3.05211
  Sterimol/B4: 7.7039  Sterimol/L: 15.0127 
 
 Surface and Volume Properties
  Accessible surface: 486.367  Positive charged surface: 288.505  Negative charged surface: 194.082  Volume: 259.625
  Hydrophobic surface: 367.503  Hydrophilic surface: 118.864
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.