MMsINC Database Search


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MMsINC code: MMs00526468

Type: Neutral
Formula: C₂₂H₁₆F₂N₂O₂

SMILES:

Fc1ccccc1CN1C(=O)c2c(N(Cc3ccccc3F)C1=O)cccc2

InChI:

InChI=1/C22H16F2N2O2/c23-18-10-4-1-7-15(18)13-25-20-12-6-3-9-17(20)21(27)26(22(25)28)14-16-8-2-5-11-19(16)24/h1-12H,13-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.2969 kcal/mol

Physical Properties
Molecular Weight: 378.378 g/mol	logS: -5.85168	SlogP: 5.2802	Reactive groups: 0

Topological Properties
Globularity: 0.104473	Sterimol/B1: 3.79033	Sterimol/B2: 3.83304	Sterimol/B3: 4.21979
Sterimol/B4: 7.70271	Sterimol/L: 15.5126

Surface and Volume Properties
Accessible surface: 579.888	Positive charged surface: 321.461	Negative charged surface: 258.428	Volume: 335.25
Hydrophobic surface: 532.569	Hydrophilic surface: 47.319

Pharmacophoric Properties
Hydrogen bond donors: 0	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.