MMsINC Database Search


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MMsINC code: MMs00520519

Type: Neutral
Formula: C₂₃H₁₉NO₂S

SMILES:

S(=O)(=O)(N(Cc1ccccc1)c1ccccc1)c1cc2c(cc1)cccc2

InChI:

InChI=1/C23H19NO2S/c25-27(26,23-16-15-20-11-7-8-12-21(20)17-23)24(22-13-5-2-6-14-22)18-19-9-3-1-4-10-19/h1-17H,18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.211 kcal/mol

Physical Properties
Molecular Weight: 373.476 g/mol	logS: -6.76808	SlogP: 5.5017	Reactive groups: 0

Topological Properties
Globularity: 0.207797	Sterimol/B1: 2.097	Sterimol/B2: 2.49122	Sterimol/B3: 6.77128
Sterimol/B4: 8.14928	Sterimol/L: 14.6753

Surface and Volume Properties
Accessible surface: 565.777	Positive charged surface: 279.924	Negative charged surface: 278.657	Volume: 351.375
Hydrophobic surface: 502.494	Hydrophilic surface: 63.283

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.