MMsINC Database Search


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MMsINC code: MMs01276390

Type: Neutral
Formula: C₂₀H₁₅F₂NO₃

SMILES:

FC(F)Oc1ccccc1C(=O)Nc1ccccc1Oc1ccccc1

InChI:

InChI=1/C20H15F2NO3/c21-20(22)26-17-12-6-4-10-15(17)19(24)23-16-11-5-7-13-18(16)25-14-8-2-1-3-9-14/h1-13,20H,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.716 kcal/mol

Physical Properties
Molecular Weight: 355.34 g/mol	logS: -5.27183	SlogP: 5.7525	Reactive groups: 0

Topological Properties
Globularity: 0.0542081	Sterimol/B1: 3.44519	Sterimol/B2: 3.58619	Sterimol/B3: 3.76763
Sterimol/B4: 7.64072	Sterimol/L: 16.7

Surface and Volume Properties
Accessible surface: 596.417	Positive charged surface: 318.037	Negative charged surface: 278.379	Volume: 318.75
Hydrophobic surface: 485.503	Hydrophilic surface: 110.914

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.