MMsINC Database Search


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MMsINC code: MMs00625322

Type: Neutral
Formula: C₁₇H₁₆FNO₅

SMILES:

Fc1ccccc1C(=O)Nc1cc(OC)c(OC)cc1C(OC)=O

InChI:

InChI=1/C17H16FNO5/c1-22-14-8-11(17(21)24-3)13(9-15(14)23-2)19-16(20)10-6-4-5-7-12(10)18/h4-9H,1-3H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.481 kcal/mol

Physical Properties
Molecular Weight: 333.315 g/mol	logS: -4.13234	SlogP: 2.8818	Reactive groups: 0

Topological Properties
Globularity: 0.0315471	Sterimol/B1: 2.83786	Sterimol/B2: 2.95	Sterimol/B3: 6.4306
Sterimol/B4: 6.88465	Sterimol/L: 16.3786

Surface and Volume Properties
Accessible surface: 572.323	Positive charged surface: 410.009	Negative charged surface: 162.314	Volume: 298.625
Hydrophobic surface: 501.309	Hydrophilic surface: 71.014

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.