MMsINC Database Search


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MMsINC code: MMs01704661

Type: Neutral
Formula: C₁₇H₁₅F₃N₂O₂

SMILES:

FC(F)(F)CNC(=O)c1ccccc1NC(=O)Cc1ccccc1

InChI:

InChI=1/C17H15F3N2O2/c18-17(19,20)11-21-16(24)13-8-4-5-9-14(13)22-15(23)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,21,24)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.0813 kcal/mol

Physical Properties
Molecular Weight: 336.313 g/mol	logS: -4.64546	SlogP: 3.57977	Reactive groups: 0

Topological Properties
Globularity: 0.0479094	Sterimol/B1: 3.22405	Sterimol/B2: 4.02513	Sterimol/B3: 4.10737
Sterimol/B4: 6.3946	Sterimol/L: 17.0251

Surface and Volume Properties
Accessible surface: 569.975	Positive charged surface: 287.275	Negative charged surface: 282.7	Volume: 291.875
Hydrophobic surface: 403.108	Hydrophilic surface: 166.867

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.