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MMsINC code: MMs00427830

Type: Neutral
Formula: C₁₁H₁₃FO₂

SMILES:

Fc1ccc(cc1C)CCCC(O)=O

InChI:

InChI=1/C11H13FO2/c1-8-7-9(5-6-10(8)12)3-2-4-11(13)14/h5-7H,2-4H2,1H3,(H,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.4859 kcal/mol

Physical Properties
Molecular Weight: 196.221 g/mol	logS: -2.26834	SlogP: 2.54139	Reactive groups: 0

Topological Properties
Globularity: 0.079647	Sterimol/B1: 2.37819	Sterimol/B2: 3.40855	Sterimol/B3: 3.41824
Sterimol/B4: 6.00321	Sterimol/L: 13.2247

Surface and Volume Properties
Accessible surface: 414.749	Positive charged surface: 249.209	Negative charged surface: 165.54	Volume: 190.75
Hydrophobic surface: 315.209	Hydrophilic surface: 99.54

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs00427831
ASINEX-ZINC04998673