MMsINC Database Search


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MMsINC code: MMs01378555

Type: Neutral
Formula: C₁₅H₁₆FNO₂S₂

SMILES:

S(CCCNS(=O)(=O)c1ccccc1F)c1ccccc1

InChI:

InChI=1/C15H16FNO2S2/c16-14-9-4-5-10-15(14)21(18,19)17-11-6-12-20-13-7-2-1-3-8-13/h1-5,7-10,17H,6,11-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=19.3892 kcal/mol

Physical Properties
Molecular Weight: 325.428 g/mol	logS: -4.53535	SlogP: 3.2864	Reactive groups: 0

Topological Properties
Globularity: 0.0343572	Sterimol/B1: 3.11318	Sterimol/B2: 3.26238	Sterimol/B3: 3.91812
Sterimol/B4: 5.91808	Sterimol/L: 17.3208

Surface and Volume Properties
Accessible surface: 553.631	Positive charged surface: 276.266	Negative charged surface: 277.365	Volume: 288.75
Hydrophobic surface: 435.43	Hydrophilic surface: 118.201

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.