MMsINC Database Search


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MMsINC code: MMs02367023

Type: Neutral
Formula: C₁₆H₁₈FNO₂S

SMILES:

S(=O)(=O)(N(CCF)c1ccccc1C)c1ccc(cc1)C

InChI:

InChI=1/C16H18FNO2S/c1-13-7-9-15(10-8-13)21(19,20)18(12-11-17)16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.7691 kcal/mol

Physical Properties
Molecular Weight: 307.389 g/mol	logS: -4.08038	SlogP: 3.46824	Reactive groups: 1

Topological Properties
Globularity: 0.113856	Sterimol/B1: 3.36371	Sterimol/B2: 4.26925	Sterimol/B3: 4.61616
Sterimol/B4: 5.72776	Sterimol/L: 13.7919

Surface and Volume Properties
Accessible surface: 510.785	Positive charged surface: 279.598	Negative charged surface: 231.187	Volume: 290.25
Hydrophobic surface: 431.484	Hydrophilic surface: 79.301

Pharmacophoric Properties
Hydrogen bond donors: 0	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.