MMsINC Database Search


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MMsINC code: MMs03282873

Type: Neutral
Formula: C₁₈H₁₅NOS₂

SMILES:

S(c1ccccc1S(=O)Nc1ccccc1)c1ccccc1

InChI:

InChI=1/C18H15NOS2/c20-22(19-15-9-3-1-4-10-15)18-14-8-7-13-17(18)21-16-11-5-2-6-12-16/h1-14,19H/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.3945 kcal/mol

Physical Properties
Molecular Weight: 325.456 g/mol	logS: -6.04146	SlogP: 4.9725	Reactive groups: 0

Topological Properties
Globularity: 0.0801507	Sterimol/B1: 2.63233	Sterimol/B2: 3.79386	Sterimol/B3: 3.89125
Sterimol/B4: 7.8711	Sterimol/L: 16.0537

Surface and Volume Properties
Accessible surface: 564.878	Positive charged surface: 296.402	Negative charged surface: 268.476	Volume: 306.5
Hydrophobic surface: 495.531	Hydrophilic surface: 69.347

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.