MMsINC Database Search


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MMsINC code: MMs02868869

Type: Neutral
Formula: C₂₀H₁₄F₄O₃S

SMILES:

s1c(c(cc1C(O)(C(OC)=O)C(F)(F)F)-c1ccc(F)cc1)-c1ccccc1

InChI:

InChI=1/C20H14F4O3S/c1-27-18(25)19(26,20(22,23)24)16-11-15(12-7-9-14(21)10-8-12)17(28-16)13-5-3-2-4-6-13/h2-11,26H,1H3/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.557 kcal/mol

Physical Properties
Molecular Weight: 410.387 g/mol	logS: -7.57027	SlogP: 5.8755	Reactive groups: 1

Topological Properties
Globularity: 0.122554	Sterimol/B1: 2.21477	Sterimol/B2: 5.20278	Sterimol/B3: 5.65465
Sterimol/B4: 6.30147	Sterimol/L: 15.2283

Surface and Volume Properties
Accessible surface: 601.543	Positive charged surface: 293.389	Negative charged surface: 308.153	Volume: 336.625
Hydrophobic surface: 459.603	Hydrophilic surface: 141.94

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.