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MMsINC code: MMs02861992

Type: Neutral
Formula: C₁₅H₁₃FO₂

SMILES:

Fc1ccccc1-c1ccc(cc1)C(C(O)=O)C

InChI:

InChI=1/C15H13FO2/c1-10(15(17)18)11-6-8-12(9-7-11)13-4-2-3-5-14(13)16/h2-10H,1H3,(H,17,18)/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.0863 kcal/mol

Physical Properties
Molecular Weight: 244.265 g/mol	logS: -4.33888	SlogP: 3.6808	Reactive groups: 0

Topological Properties
Globularity: 0.0627789	Sterimol/B1: 2.17209	Sterimol/B2: 3.06139	Sterimol/B3: 4.23127
Sterimol/B4: 4.56724	Sterimol/L: 14.7602

Surface and Volume Properties
Accessible surface: 465.259	Positive charged surface: 251.128	Negative charged surface: 209.044	Volume: 233.75
Hydrophobic surface: 359.145	Hydrophilic surface: 106.114

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02861993
PUBCHEM-ZINC02037479