MMsINC Database Search


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

MMsINC code: MMs01557482

Type: Neutral
Formula: C₁₅H₁₀F₃NO₃S

SMILES:

S1(=O)(=O)N(Cc2ccccc2C(F)(F)F)C(=O)c2c1cccc2

InChI:

InChI=1/C15H10F3NO3S/c16-15(17,18)12-7-3-1-5-10(12)9-19-14(20)11-6-2-4-8-13(11)23(19,21)22/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.3638 kcal/mol

Physical Properties
Molecular Weight: 341.309 g/mol	logS: -4.65092	SlogP: 3.628	Reactive groups: 0

Topological Properties
Globularity: 0.111696	Sterimol/B1: 2.44238	Sterimol/B2: 3.66963	Sterimol/B3: 4.39012
Sterimol/B4: 6.4895	Sterimol/L: 14.3854

Surface and Volume Properties
Accessible surface: 493.301	Positive charged surface: 185.012	Negative charged surface: 308.289	Volume: 264.125
Hydrophobic surface: 302.181	Hydrophilic surface: 191.12

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.