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PUBCHEM-ZINC02141254

 MMsINC code: MMs02876099
Type: Neutral
Formula: C11H14FN5O3
SMILES:   Fc1ccc(NC(=O)NCC(=O)NNC(=O)NC)cc1
InChI:   InChI=1/C11H14FN5O3/c1-13-10(19)17-16-9(18)6-14-11(20)15-8-4-2-7(12)3-5-8/h2-5H,6H2,1H3,(H,16,18)(H2,13,17,19)(H2,14,15,20)

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Potential Energy
Epot(MMFF94)=31.9864 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.263 g/mol  logS: -2.02145  SlogP: -0.0926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0109927  Sterimol/B1: 2.38265  Sterimol/B2: 2.91207  Sterimol/B3: 2.92032
  Sterimol/B4: 4.99911  Sterimol/L: 18.3422 
 
 Surface and Volume Properties
  Accessible surface: 522.108  Positive charged surface: 337.028  Negative charged surface: 185.08  Volume: 244.75
  Hydrophobic surface: 317.167  Hydrophilic surface: 204.941
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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.