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MMsINC code: MMs03067444

Type: Neutral
Formula: C₁₇H₁₄FNO₂

SMILES:

Fc1c2[nH]c(-c3ccccc3C)c(c2ccc1)CC(O)=O

InChI:

InChI=1/C17H14FNO2/c1-10-5-2-3-6-11(10)16-13(9-15(20)21)12-7-4-8-14(18)17(12)19-16/h2-8,19H,9H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.8549 kcal/mol

Physical Properties
Molecular Weight: 283.302 g/mol	logS: -4.86973	SlogP: 3.90949	Reactive groups: 0

Topological Properties
Globularity: 0.198611	Sterimol/B1: 2.31532	Sterimol/B2: 4.67642	Sterimol/B3: 5.70798
Sterimol/B4: 6.11638	Sterimol/L: 13.79

Surface and Volume Properties
Accessible surface: 492.483	Positive charged surface: 265.445	Negative charged surface: 223.709	Volume: 265.375
Hydrophobic surface: 386.936	Hydrophilic surface: 105.547

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

MMs03067445
PUBCHEM-ZINC03742532