MMsINC Database Search


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MMsINC code: MMs01438682

Type: Neutral
Formula: C₂₁H₁₇F₂NO₂

SMILES:

FC(F)Oc1ccc(cc1)C(=O)NC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C21H17F2NO2/c22-21(23)26-18-13-11-17(12-14-18)20(25)24-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,21H,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.873 kcal/mol

Physical Properties
Molecular Weight: 353.368 g/mol	logS: -5.20106	SlogP: 5.3228	Reactive groups: 0

Topological Properties
Globularity: 0.136737	Sterimol/B1: 2.29267	Sterimol/B2: 3.06277	Sterimol/B3: 5.33073
Sterimol/B4: 9.23446	Sterimol/L: 15.3903

Surface and Volume Properties
Accessible surface: 601.446	Positive charged surface: 295.319	Negative charged surface: 306.128	Volume: 328
Hydrophobic surface: 485.595	Hydrophilic surface: 115.851

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.