MMsINC Database Search


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MMsINC code: MMs00798759

Type: Neutral
Formula: C₁₅H₁₄FNO₃

SMILES:

Fc1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1

InChI:

InChI=1/C15H14FNO3/c1-19-13-8-4-12(5-9-13)17-15(18)10-20-14-6-2-11(16)3-7-14/h2-9H,10H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.6918 kcal/mol

Physical Properties
Molecular Weight: 275.279 g/mol	logS: -3.77705	SlogP: 2.8518	Reactive groups: 0

Topological Properties
Globularity: 0.0124977	Sterimol/B1: 2.51413	Sterimol/B2: 3.00041	Sterimol/B3: 3.76854
Sterimol/B4: 3.78224	Sterimol/L: 18.8787

Surface and Volume Properties
Accessible surface: 517.141	Positive charged surface: 315.216	Negative charged surface: 201.925	Volume: 255
Hydrophobic surface: 452.315	Hydrophilic surface: 64.826

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.