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PUBCHEM-ZINC00233802

 MMsINC code: MMs02642828
Type: Neutral
Formula: C14H14FNO3
SMILES:   Fc1ccc(NC(=O)C2CC=CCC2C(O)=O)cc1
InChI:   InChI=1/C14H14FNO3/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(18)19/h1-2,5-8,11-12H,3-4H2,(H,16,17)(H,18,19)/t11-,12+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.7479 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.268 g/mol  logS: -1.80925  SlogP: 2.4312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.19557  Sterimol/B1: 2.63413  Sterimol/B2: 4.42106  Sterimol/B3: 4.71495
  Sterimol/B4: 5.12153  Sterimol/L: 12.3136 
 
 Surface and Volume Properties
  Accessible surface: 456.731  Positive charged surface: 271.117  Negative charged surface: 185.614  Volume: 235.75
  Hydrophobic surface: 334.278  Hydrophilic surface: 122.453
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02642829
PUBCHEM-ZINC00233802