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CHEMBLOCK-ZINC01445534

 MMsINC code: MMs00528010
Type: Neutral
Formula: C14H10FIN2O2
SMILES:   Ic1cc(ccc1O)\C=N\NC(=O)c1ccc(F)cc1
InChI:   InChI=1/C14H10FIN2O2/c15-11-4-2-10(3-5-11)14(20)18-17-8-9-1-6-13(19)12(16)7-9/h1-8,19H,(H,18,20)/b17-8+

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Potential Energy
Epot(MMFF94)=81.1212 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.148 g/mol  logS: -4.4627  SlogP: 2.8998  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0011787  Sterimol/B1: 2.23456  Sterimol/B2: 2.48144  Sterimol/B3: 4.20426
  Sterimol/B4: 5.36696  Sterimol/L: 17.3384 
 
 Surface and Volume Properties
  Accessible surface: 527.282  Positive charged surface: 230.254  Negative charged surface: 297.028  Volume: 267.375
  Hydrophobic surface: 411.132  Hydrophilic surface: 116.15
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00528011
CHEMBLOCK-ZINC01445534