MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01371426

Type: Neutral
Formula: C₁₅H₁₄FNO₃S

SMILES:

S(=O)(=O)(C)c1ccc(cc1)C(=O)NCc1ccccc1F

InChI:

InChI=1/C15H14FNO3S/c1-21(19,20)13-8-6-11(7-9-13)15(18)17-10-12-4-2-3-5-14(12)16/h2-9H,10H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.52 kcal/mol

Physical Properties
Molecular Weight: 307.345 g/mol	logS: -3.73458	SlogP: 2.4256	Reactive groups: 0

Topological Properties
Globularity: 0.0653505	Sterimol/B1: 2.61071	Sterimol/B2: 2.64156	Sterimol/B3: 4.82182
Sterimol/B4: 5.84076	Sterimol/L: 16.0911

Surface and Volume Properties
Accessible surface: 524.415	Positive charged surface: 259.74	Negative charged surface: 264.676	Volume: 271
Hydrophobic surface: 411.011	Hydrophilic surface: 113.404

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.