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PUBCHEM-ZINC03748664

 MMsINC code: MMs03069102
Type: Ionized
Formula: C10H7FNO2-
SMILES:   Fc1c2c([nH]c(c2)C(=O)[O-])c(cc1)C
InChI:   InChI=1/C10H8FNO2/c1-5-2-3-7(11)6-4-8(10(13)14)12-9(5)6/h2-4,12H,1H3,(H,13,14)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.1385 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.169 g/mol  logS: -2.513  SlogP: 0.97892  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0143502  Sterimol/B1: 2.16896  Sterimol/B2: 2.37569  Sterimol/B3: 2.37642
  Sterimol/B4: 6.99188  Sterimol/L: 11.2084 
 
 Surface and Volume Properties
  Accessible surface: 364.314  Positive charged surface: 159.386  Negative charged surface: 199.385  Volume: 166.25
  Hydrophobic surface: 252.056  Hydrophilic surface: 112.258
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  Acid groups: 2  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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Parent related molecule:


MMs03069101
PUBCHEM-ZINC03748664