MMsINC Database Search


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MMsINC code: MMs02778405

Type: Neutral
Formula: C₂₃H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N(Cc1ccccc1C)c1ccc(cc1)C(=O)Nc1ccc(OC)cc1)C

InChI:

InChI=1/C23H24N2O4S/c1-17-6-4-5-7-19(17)16-25(30(3,27)28)21-12-8-18(9-13-21)23(26)24-20-10-14-22(29-2)15-11-20/h4-15H,16H2,1-3H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.604 kcal/mol

Physical Properties
Molecular Weight: 424.521 g/mol	logS: -5.56063	SlogP: 4.48852	Reactive groups: 0

Topological Properties
Globularity: 0.0434941	Sterimol/B1: 2.55324	Sterimol/B2: 3.07978	Sterimol/B3: 4.33382
Sterimol/B4: 7.13064	Sterimol/L: 21.3376

Surface and Volume Properties
Accessible surface: 662.135	Positive charged surface: 391.544	Negative charged surface: 270.59	Volume: 397.375
Hydrophobic surface: 550.063	Hydrophilic surface: 112.072

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.