MMsINC Database Search


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MMsINC code: MMs01224065

Type: Neutral
Formula: C₁₄H₁₃F₂NO₂S

SMILES:

S(=O)(=O)(N(C(F)F)c1ccccc1)c1ccc(cc1)C

InChI:

InChI=1/C14H13F2NO2S/c1-11-7-9-13(10-8-11)20(18,19)17(14(15)16)12-5-3-2-4-6-12/h2-10,14H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.8148 kcal/mol

Physical Properties
Molecular Weight: 297.325 g/mol	logS: -3.68009	SlogP: 3.83282	Reactive groups: 0

Topological Properties
Globularity: 0.0830558	Sterimol/B1: 3.08284	Sterimol/B2: 3.6456	Sterimol/B3: 4.71543
Sterimol/B4: 5.58737	Sterimol/L: 14.1566

Surface and Volume Properties
Accessible surface: 478.704	Positive charged surface: 219.549	Negative charged surface: 259.155	Volume: 254.625
Hydrophobic surface: 357.999	Hydrophilic surface: 120.705

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.