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CHEMBLOCK-ZINC00269634

 MMsINC code: MMs00503928
Type: Neutral
Formula: C12H11FN4O2
SMILES:   Fc1ccc(cc1)C(=O)NC(=O)Nc1n[nH]c(c1)C
InChI:   InChI=1/C12H11FN4O2/c1-7-6-10(17-16-7)14-12(19)15-11(18)8-2-4-9(13)5-3-8/h2-6H,1H3,(H3,14,15,16,17,18,19)

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Potential Energy
Epot(MMFF94)=32.7658 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.244 g/mol  logS: -2.93907  SlogP: 1.81912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00292789  Sterimol/B1: 2.10136  Sterimol/B2: 2.51169  Sterimol/B3: 2.79312
  Sterimol/B4: 4.99927  Sterimol/L: 16.8356 
 
 Surface and Volume Properties
  Accessible surface: 475.015  Positive charged surface: 259.37  Negative charged surface: 215.646  Volume: 224.875
  Hydrophobic surface: 302.358  Hydrophilic surface: 172.657
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.