MMsINC Database Search


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MMsINC code: MMs01466735

Type: Neutral
Formula: C₂₃H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N(C)c1ccccc1OC)c1ccc(cc1)C(=O)Nc1cccc(C)c1C

InChI:

InChI=1/C23H24N2O4S/c1-16-8-7-9-20(17(16)2)24-23(26)18-12-14-19(15-13-18)30(27,28)25(3)21-10-5-6-11-22(21)29-4/h5-15H,1-4H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.905 kcal/mol

Physical Properties
Molecular Weight: 424.521 g/mol	logS: -5.77706	SlogP: 4.38944	Reactive groups: 0

Topological Properties
Globularity: 0.0669428	Sterimol/B1: 2.70247	Sterimol/B2: 4.22973	Sterimol/B3: 4.85555
Sterimol/B4: 5.58267	Sterimol/L: 19.4423

Surface and Volume Properties
Accessible surface: 667.552	Positive charged surface: 401.082	Negative charged surface: 266.47	Volume: 397.875
Hydrophobic surface: 583.263	Hydrophilic surface: 84.289

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.