MMsINC Database Search


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MMsINC code: MMs00114721

Type: Neutral
Formula: C₁₇H₁₄FNO₅

SMILES:

Fc1ccccc1C(=O)Nc1cc(ccc1C(OC)=O)C(OC)=O

InChI:

InChI=1/C17H14FNO5/c1-23-16(21)10-7-8-12(17(22)24-2)14(9-10)19-15(20)11-5-3-4-6-13(11)18/h3-9H,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.8578 kcal/mol

Physical Properties
Molecular Weight: 331.299 g/mol	logS: -4.41331	SlogP: 2.6512	Reactive groups: 0

Topological Properties
Globularity: 0.0270382	Sterimol/B1: 2.69972	Sterimol/B2: 2.94348	Sterimol/B3: 3.00631
Sterimol/B4: 9.60202	Sterimol/L: 16.6534

Surface and Volume Properties
Accessible surface: 563.287	Positive charged surface: 369.245	Negative charged surface: 194.042	Volume: 291.5
Hydrophobic surface: 467.854	Hydrophilic surface: 95.433

Pharmacophoric Properties
Hydrogen bond donors: 1	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.