MMsINC Database Search


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MMsINC code: MMs02546587

Type: Neutral
Formula: C₁₀H₉FO₃

SMILES:

Fc1ccccc1C(=O)CC(OC)=O

InChI:

InChI=1/C10H9FO3/c1-14-10(13)6-9(12)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.0963 kcal/mol

Physical Properties
Molecular Weight: 196.177 g/mol	logS: -2.27486	SlogP: 1.5715	Reactive groups: 1

Topological Properties
Globularity: 0.0128918	Sterimol/B1: 2.37508	Sterimol/B2: 2.37591	Sterimol/B3: 3.78352
Sterimol/B4: 4.17321	Sterimol/L: 13.7253

Surface and Volume Properties
Accessible surface: 390.927	Positive charged surface: 241.335	Negative charged surface: 149.592	Volume: 176
Hydrophobic surface: 320.44	Hydrophilic surface: 70.487

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.