MMsINC Database Search


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MMsINC code: MMs01227449

Type: Neutral
Formula: C₁₅H₁₁FO₄

SMILES:

Fc1ccc(cc1)C(Oc1ccc(cc1OC)C=O)=O

InChI:

InChI=1/C15H11FO4/c1-19-14-8-10(9-17)2-7-13(14)20-15(18)11-3-5-12(16)6-4-11/h2-9H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.7215 kcal/mol

Physical Properties
Molecular Weight: 274.247 g/mol	logS: -3.85041	SlogP: 2.866	Reactive groups: 1

Topological Properties
Globularity: 0.0756114	Sterimol/B1: 2.35933	Sterimol/B2: 3.51512	Sterimol/B3: 4.00638
Sterimol/B4: 7.24911	Sterimol/L: 15.664

Surface and Volume Properties
Accessible surface: 499.398	Positive charged surface: 291.32	Negative charged surface: 208.078	Volume: 245
Hydrophobic surface: 404.511	Hydrophilic surface: 94.887

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