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PUBCHEM-ZINC03742524

 MMsINC code: MMs03067436
Type: Neutral
Formula: C18H16FNO2
SMILES:   Fc1c2[nH]c(-c3ccc(cc3)CC)c(c2ccc1)CC(O)=O
InChI:   InChI=1/C18H16FNO2/c1-2-11-6-8-12(9-7-11)17-14(10-16(21)22)13-4-3-5-15(19)18(13)20-17/h3-9,20H,2,10H2,1H3,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.5053 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.329 g/mol  logS: -5.38495  SlogP: 4.16344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.047765  Sterimol/B1: 2.37041  Sterimol/B2: 3.80868  Sterimol/B3: 4.22396
  Sterimol/B4: 6.62496  Sterimol/L: 15.9976 
 
 Surface and Volume Properties
  Accessible surface: 528.583  Positive charged surface: 296.479  Negative charged surface: 228.694  Volume: 282
  Hydrophobic surface: 402.989  Hydrophilic surface: 125.594
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03067437
PUBCHEM-ZINC03742524