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MMsINC code: MMs02124890

Type: Neutral
Formula: C₁₇H₁₅FO₃

SMILES:

Fc1ccc(cc1)C(C(=O)c1ccccc1)C(C(O)=O)C

InChI:

InChI=1/C17H15FO3/c1-11(17(20)21)15(12-7-9-14(18)10-8-12)16(19)13-5-3-2-4-6-13/h2-11,15H,1H3,(H,20,21)/t11-,15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.6421 kcal/mol

Physical Properties
Molecular Weight: 286.302 g/mol	logS: -3.76823	SlogP: 3.5129	Reactive groups: 0

Topological Properties
Globularity: 0.149689	Sterimol/B1: 2.47237	Sterimol/B2: 3.23813	Sterimol/B3: 4.87179
Sterimol/B4: 5.99439	Sterimol/L: 14.2002

Surface and Volume Properties
Accessible surface: 484.96	Positive charged surface: 258.852	Negative charged surface: 226.108	Volume: 266.875
Hydrophobic surface: 378.511	Hydrophilic surface: 106.449

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02124891
KEYORGANICS-ZINC04110394