MMsINC Database Search


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MMsINC code: MMs02973089

Type: Neutral
Formula: C₂₂H₁₆F₂N₂O₄S₂

SMILES:

S(=O)(=O)(Nc1ccccc1F)c1c2c(ccc1)c(S(=O)(=O)Nc1ccccc1F)ccc2

InChI:

InChI=1/C22H16F2N2O4S2/c23-17-9-1-3-11-19(17)25-31(27,28)21-13-5-8-16-15(21)7-6-14-22(16)32(29,30)26-20-12-4-2-10-18(20)24/h1-14,25-26H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.737 kcal/mol

Physical Properties
Molecular Weight: 474.508 g/mol	logS: -7.1764	SlogP: 4.7196	Reactive groups: 0

Topological Properties
Globularity: 0.303141	Sterimol/B1: 3.5101	Sterimol/B2: 3.8355	Sterimol/B3: 6.09401
Sterimol/B4: 6.84694	Sterimol/L: 12.3975

Surface and Volume Properties
Accessible surface: 615.969	Positive charged surface: 284.159	Negative charged surface: 326.712	Volume: 383.375
Hydrophobic surface: 472.511	Hydrophilic surface: 143.458

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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: 0

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Ions/Tautomers related molecules: no related molecules available.