MMsINC Database Search


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MMsINC code: MMs02451823

Type: Neutral
Formula: C₂₂H₂₆F₂N₂O₂

SMILES:

Fc1ccccc1NC(=O)CCCCCCCCC(=O)Nc1ccccc1F

InChI:

InChI=1/C22H26F2N2O2/c23-17-11-7-9-13-19(17)25-21(27)15-5-3-1-2-4-6-16-22(28)26-20-14-10-8-12-18(20)24/h7-14H,1-6,15-16H2,(H,25,27)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.9592 kcal/mol

Physical Properties
Molecular Weight: 388.458 g/mol	logS: -6.40162	SlogP: 5.6628	Reactive groups: 0

Topological Properties
Globularity: 0.00985816	Sterimol/B1: 2.09812	Sterimol/B2: 2.45	Sterimol/B3: 3.3181
Sterimol/B4: 5.45496	Sterimol/L: 25.736

Surface and Volume Properties
Accessible surface: 719.928	Positive charged surface: 458.306	Negative charged surface: 261.623	Volume: 374.625
Hydrophobic surface: 641.289	Hydrophilic surface: 78.639

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.