MMsINC Database Search


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MMsINC code: MMs01466205

Type: Neutral
Formula: C₂₄H₂₄N₂O₆S

SMILES:

S(=O)(=O)(N(C)c1ccccc1)c1ccc(cc1)C(OCC(=O)Nc1ccccc1OCC)=O

InChI:

InChI=1/C24H24N2O6S/c1-3-31-22-12-8-7-11-21(22)25-23(27)17-32-24(28)18-13-15-20(16-14-18)33(29,30)26(2)19-9-5-4-6-10-19/h4-16H,3,17H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.554 kcal/mol

Physical Properties
Molecular Weight: 468.53 g/mol	logS: -5.87805	SlogP: 3.7059	Reactive groups: 0

Topological Properties
Globularity: 0.0350108	Sterimol/B1: 2.07744	Sterimol/B2: 4.07443	Sterimol/B3: 5.32014
Sterimol/B4: 8.07669	Sterimol/L: 22.5169

Surface and Volume Properties
Accessible surface: 780.268	Positive charged surface: 475.015	Negative charged surface: 305.253	Volume: 428.75
Hydrophobic surface: 620.456	Hydrophilic surface: 159.812

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.