MMsINC Database Search


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MMsINC code: MMs00110105

Type: Neutral
Formula: C₁₅H₁₇NO₂S₂

SMILES:

S(C)c1ccc(S(=O)(=O)NCc2ccccc2C)cc1

InChI:

InChI=1/C15H17NO2S2/c1-12-5-3-4-6-13(12)11-16-20(17,18)15-9-7-14(19-2)8-10-15/h3-10,16H,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.6538 kcal/mol

Physical Properties
Molecular Weight: 307.438 g/mol	logS: -4.48608	SlogP: 3.46182	Reactive groups: 0

Topological Properties
Globularity: 0.13541	Sterimol/B1: 2.53094	Sterimol/B2: 2.92377	Sterimol/B3: 4.70147
Sterimol/B4: 6.60116	Sterimol/L: 15.8835

Surface and Volume Properties
Accessible surface: 531.624	Positive charged surface: 262.362	Negative charged surface: 269.262	Volume: 285.125
Hydrophobic surface: 406.824	Hydrophilic surface: 124.8

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.