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IBS-ZINC04889270

 MMsINC code: MMs01905397
Type: Neutral
Formula: C10H10FN3O
SMILES:   Fc1ccc(cc1)\C=C\C=N\NC(=O)N
InChI:   InChI=1/C10H10FN3O/c11-9-5-3-8(4-6-9)2-1-7-13-14-10(12)15/h1-7H,(H3,12,14,15)/b2-1+,13-7+

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Potential Energy
Epot(MMFF94)=25.7719 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.208 g/mol  logS: -2.51826  SlogP: 1.493  Reactive groups: 0
 
 Topological Properties
  Globularity: 5.08509e-08  Sterimol/B1: 2.097  Sterimol/B2: 2.09855  Sterimol/B3: 2.56128
  Sterimol/B4: 5.33088  Sterimol/L: 15.2311 
 
 Surface and Volume Properties
  Accessible surface: 421.28  Positive charged surface: 232.192  Negative charged surface: 189.088  Volume: 192.5
  Hydrophobic surface: 256.873  Hydrophilic surface: 164.407
 
 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.