MMsINC Database Search


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MMsINC code: MMs00850420

Type: Neutral
Formula: C₁₅H₁₀F₂N₂O₂S

SMILES:

S(=O)(=O)(Nc1cc(F)c(F)cc1)c1c2ncccc2ccc1

InChI:

InChI=1/C15H10F2N2O2S/c16-12-7-6-11(9-13(12)17)19-22(20,21)14-5-1-3-10-4-2-8-18-15(10)14/h1-9,19H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.241 kcal/mol

Physical Properties
Molecular Weight: 320.319 g/mol	logS: -4.22522	SlogP: 3.3138	Reactive groups: 0

Topological Properties
Globularity: 0.279593	Sterimol/B1: 2.48598	Sterimol/B2: 3.59563	Sterimol/B3: 5.5665
Sterimol/B4: 7.02765	Sterimol/L: 12.1863

Surface and Volume Properties
Accessible surface: 483.954	Positive charged surface: 232.031	Negative charged surface: 247.479	Volume: 260.75
Hydrophobic surface: 404.456	Hydrophilic surface: 79.498

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.