MMsINC Database Search


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MMsINC code: MMs00598113

Type: Neutral
Formula: C₂₁H₁₄FNO₃

SMILES:

Fc1cc2c(cc1)C(=O)N(c1cc(ccc1OC)-c1ccccc1)C2=O

InChI:

InChI=1/C21H14FNO3/c1-26-19-10-7-14(13-5-3-2-4-6-13)11-18(19)23-20(24)16-9-8-15(22)12-17(16)21(23)25/h2-12H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.78 kcal/mol

Physical Properties
Molecular Weight: 347.345 g/mol	logS: -6.53033	SlogP: 4.3019	Reactive groups: 0

Topological Properties
Globularity: 0.0621336	Sterimol/B1: 2.02923	Sterimol/B2: 3.98502	Sterimol/B3: 4.01046
Sterimol/B4: 9.59192	Sterimol/L: 16.5422

Surface and Volume Properties
Accessible surface: 589.211	Positive charged surface: 299.753	Negative charged surface: 278.387	Volume: 316.25
Hydrophobic surface: 513.829	Hydrophilic surface: 75.382

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.