MMsINC Database Search


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MMsINC code: MMs01298840

Type: Neutral
Formula: C₂₃H₁₉NO₂S

SMILES:

S(=O)(=O)(NC(c1ccccc1)c1ccccc1)c1cc2c(cc1)cccc2

InChI:

InChI=1/C23H19NO2S/c25-27(26,22-16-15-18-9-7-8-14-21(18)17-22)24-23(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-17,23-24H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.4525 kcal/mol

Physical Properties
Molecular Weight: 373.476 g/mol	logS: -6.63654	SlogP: 5.0032	Reactive groups: 0

Topological Properties
Globularity: 0.189866	Sterimol/B1: 4.20654	Sterimol/B2: 4.23494	Sterimol/B3: 5.40779
Sterimol/B4: 6.21262	Sterimol/L: 16.2715

Surface and Volume Properties
Accessible surface: 586.489	Positive charged surface: 300.423	Negative charged surface: 281.245	Volume: 356.25
Hydrophobic surface: 513.387	Hydrophilic surface: 73.102

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.