MMsINC Database Search


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MMsINC code: MMs01509303

Type: Neutral
Formula: C₁₆H₁₃F₂NO₄S

SMILES:

S(=O)(=O)(C(F)F)c1ccc(cc1)C(=O)Nc1cc(ccc1)C(=O)C

InChI:

InChI=1/C16H13F2NO4S/c1-10(20)12-3-2-4-13(9-12)19-15(21)11-5-7-14(8-6-11)24(22,23)16(17)18/h2-9,16H,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.103 kcal/mol

Physical Properties
Molecular Weight: 353.345 g/mol	logS: -3.8917	SlogP: 3.5577	Reactive groups: 0

Topological Properties
Globularity: 0.0250803	Sterimol/B1: 2.81718	Sterimol/B2: 3.4895	Sterimol/B3: 3.53368
Sterimol/B4: 5.96952	Sterimol/L: 17.6879

Surface and Volume Properties
Accessible surface: 555.97	Positive charged surface: 248.975	Negative charged surface: 306.995	Volume: 289.75
Hydrophobic surface: 343.581	Hydrophilic surface: 212.389

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1

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Ions/Tautomers related molecules: no related molecules available.