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MMsINC code: MMs00427826

Type: Neutral
Formula: C₁₁H₁₁FO₃

SMILES:

Fc1ccc(cc1C)C(=O)CCC(O)=O

InChI:

InChI=1/C11H11FO3/c1-7-6-8(2-3-9(7)12)10(13)4-5-11(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.8408 kcal/mol

Physical Properties
Molecular Weight: 210.204 g/mol	logS: -1.90492	SlogP: 2.18162	Reactive groups: 0

Topological Properties
Globularity: 0.0164961	Sterimol/B1: 2.37757	Sterimol/B2: 2.51202	Sterimol/B3: 2.55845
Sterimol/B4: 5.57793	Sterimol/L: 14.2629

Surface and Volume Properties
Accessible surface: 409.882	Positive charged surface: 230.653	Negative charged surface: 179.228	Volume: 191.625
Hydrophobic surface: 279.877	Hydrophilic surface: 130.005

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs00427827
ASINEX-ZINC04998671