MMsINC Database Search


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MMsINC code: MMs01236761

Type: Neutral
Formula: C₁₇H₁₂F₃NO₂S

SMILES:

S(=O)(=O)(Nc1cc2c(cc1)cccc2)c1cc(ccc1)C(F)(F)F

InChI:

InChI=1/C17H12F3NO2S/c18-17(19,20)14-6-3-7-16(11-14)24(22,23)21-15-9-8-12-4-1-2-5-13(12)10-15/h1-11,21H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.0287 kcal/mol

Physical Properties
Molecular Weight: 351.348 g/mol	logS: -5.98115	SlogP: 4.9709	Reactive groups: 0

Topological Properties
Globularity: 0.193786	Sterimol/B1: 3.03894	Sterimol/B2: 4.13305	Sterimol/B3: 4.35473
Sterimol/B4: 6.4806	Sterimol/L: 14.3071

Surface and Volume Properties
Accessible surface: 531.196	Positive charged surface: 212.125	Negative charged surface: 310.441	Volume: 286.25
Hydrophobic surface: 348.821	Hydrophilic surface: 182.375

Pharmacophoric Properties
Hydrogen bond donors: 1	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.