MMsINC Database Search


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MMsINC code: MMs01973011

Type: Neutral
Formula: C₁₅H₁₄F₃NO₂S

SMILES:

S(=O)(=O)(NCCc1ccccc1)c1ccccc1C(F)(F)F

InChI:

InChI=1/C15H14F3NO2S/c16-15(17,18)13-8-4-5-9-14(13)22(20,21)19-11-10-12-6-2-1-3-7-12/h1-9,19H,10-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.817 kcal/mol

Physical Properties
Molecular Weight: 329.342 g/mol	logS: -4.10878	SlogP: 3.53787	Reactive groups: 0

Topological Properties
Globularity: 0.170095	Sterimol/B1: 3.35341	Sterimol/B2: 3.92992	Sterimol/B3: 4.64665
Sterimol/B4: 5.75377	Sterimol/L: 13.2151

Surface and Volume Properties
Accessible surface: 514.271	Positive charged surface: 234.554	Negative charged surface: 279.717	Volume: 272.5
Hydrophobic surface: 373.426	Hydrophilic surface: 140.845

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.