MMsINC Database Search


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MMsINC code: MMs01466028

Type: Neutral
Formula: C₂₄H₂₄N₂O₅S

SMILES:

S(=O)(=O)(N(C)c1ccccc1)c1ccc(cc1)C(OCC(=O)NCc1ccc(cc1)C)=O

InChI:

InChI=1/C24H24N2O5S/c1-18-8-10-19(11-9-18)16-25-23(27)17-31-24(28)20-12-14-22(15-13-20)32(29,30)26(2)21-6-4-3-5-7-21/h3-15H,16-17H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.0662 kcal/mol

Physical Properties
Molecular Weight: 452.531 g/mol	logS: -5.91842	SlogP: 3.55972	Reactive groups: 0

Topological Properties
Globularity: 0.0340388	Sterimol/B1: 3.6763	Sterimol/B2: 3.85648	Sterimol/B3: 4.08198
Sterimol/B4: 6.00941	Sterimol/L: 24.4905

Surface and Volume Properties
Accessible surface: 764.822	Positive charged surface: 454.968	Negative charged surface: 309.854	Volume: 422.25
Hydrophobic surface: 621.262	Hydrophilic surface: 143.56

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.