MMsINC Database Search


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MMsINC code: MMs01360288

Type: Neutral
Formula: C₂₄H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N1CCOCC1)c1ccc(cc1)C(=O)Nc1ccccc1Cc1ccccc1

InChI:

InChI=1/C24H24N2O4S/c27-24(25-23-9-5-4-8-21(23)18-19-6-2-1-3-7-19)20-10-12-22(13-11-20)31(28,29)26-14-16-30-17-15-26/h1-13H,14-18H2,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.184 kcal/mol

Physical Properties
Molecular Weight: 436.532 g/mol	logS: -5.36284	SlogP: 3.55057	Reactive groups: 0

Topological Properties
Globularity: 0.0676635	Sterimol/B1: 2.24886	Sterimol/B2: 2.37621	Sterimol/B3: 5.46446
Sterimol/B4: 8.82633	Sterimol/L: 18.0659

Surface and Volume Properties
Accessible surface: 687.466	Positive charged surface: 413.624	Negative charged surface: 273.841	Volume: 407.75
Hydrophobic surface: 595.858	Hydrophilic surface: 91.608

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.