MMsINC Database Search


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MMsINC code: MMs00185667

Type: Neutral
Formula: C₂₃H₂₄N₂O₃S

SMILES:

S(=O)(=O)(N(CC(=O)NCc1ccccc1C)c1ccccc1C)c1ccccc1

InChI:

InChI=1/C23H24N2O3S/c1-18-10-6-8-12-20(18)16-24-23(26)17-25(22-15-9-7-11-19(22)2)29(27,28)21-13-4-3-5-14-21/h3-15H,16-17H2,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.9923 kcal/mol

Physical Properties
Molecular Weight: 408.522 g/mol	logS: -5.69716	SlogP: 4.08154	Reactive groups: 0

Topological Properties
Globularity: 0.148838	Sterimol/B1: 2.89353	Sterimol/B2: 3.57314	Sterimol/B3: 5.85825
Sterimol/B4: 9.16817	Sterimol/L: 15.5252

Surface and Volume Properties
Accessible surface: 650.532	Positive charged surface: 372.035	Negative charged surface: 278.498	Volume: 392.375
Hydrophobic surface: 581.858	Hydrophilic surface: 68.674

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.