MMsINC Database Search


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MMsINC code: MMs01710175

Type: Neutral
Formula: C₁₅H₁₃F₃N₂O₃S

SMILES:

S(=O)(=O)(N)c1ccc(cc1)CNC(=O)c1ccccc1C(F)(F)F

InChI:

InChI=1/C15H13F3N2O3S/c16-15(17,18)13-4-2-1-3-12(13)14(21)20-9-10-5-7-11(8-6-10)24(19,22)23/h1-8H,9H2,(H,20,21)(H2,19,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.2896 kcal/mol

Physical Properties
Molecular Weight: 358.34 g/mol	logS: -4.58207	SlogP: 2.8607	Reactive groups: 0

Topological Properties
Globularity: 0.0484397	Sterimol/B1: 2.53214	Sterimol/B2: 3.60487	Sterimol/B3: 3.63967
Sterimol/B4: 6.26955	Sterimol/L: 16.978

Surface and Volume Properties
Accessible surface: 559.544	Positive charged surface: 248.283	Negative charged surface: 311.262	Volume: 286.25
Hydrophobic surface: 307.887	Hydrophilic surface: 251.657

Pharmacophoric Properties
Hydrogen bond donors: 2	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

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Ions/Tautomers related molecules

MMs01710176
ENAMINE-ZINC06881742