MMsINC Database Search


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MMsINC code: MMs02103780

Type: Neutral
Formula: C₁₄H₁₀F₂O₃S

SMILES:

S(=O)(=O)(CC(=O)c1ccc(F)cc1)c1ccc(F)cc1

InChI:

InChI=1/C14H10F2O3S/c15-11-3-1-10(2-4-11)14(17)9-20(18,19)13-7-5-12(16)6-8-13/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.919 kcal/mol

Physical Properties
Molecular Weight: 296.293 g/mol	logS: -4.21478	SlogP: 2.6214	Reactive groups: 0

Topological Properties
Globularity: 0.0701473	Sterimol/B1: 3.06401	Sterimol/B2: 3.61894	Sterimol/B3: 3.6193
Sterimol/B4: 5.34311	Sterimol/L: 15.3341

Surface and Volume Properties
Accessible surface: 482.782	Positive charged surface: 205.976	Negative charged surface: 276.806	Volume: 243
Hydrophobic surface: 399.022	Hydrophilic surface: 83.76

Pharmacophoric Properties
Hydrogen bond donors: 0	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.