MMsINC Database Search


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MMsINC code: MMs00901317

Type: Neutral
Formula: C₂₃H₂₄N₂O₄S

SMILES:

S(=O)(=O)(NCc1ccc(cc1)C(=O)NCc1cc(OC)ccc1)c1ccc(cc1)C

InChI:

InChI=1/C23H24N2O4S/c1-17-6-12-22(13-7-17)30(27,28)25-16-18-8-10-20(11-9-18)23(26)24-15-19-4-3-5-21(14-19)29-2/h3-14,25H,15-16H2,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.8471 kcal/mol

Physical Properties
Molecular Weight: 424.521 g/mol	logS: -5.42909	SlogP: 3.94492	Reactive groups: 0

Topological Properties
Globularity: 0.0424944	Sterimol/B1: 2.53638	Sterimol/B2: 4.63591	Sterimol/B3: 4.8263
Sterimol/B4: 6.45454	Sterimol/L: 23.0537

Surface and Volume Properties
Accessible surface: 738.586	Positive charged surface: 435.663	Negative charged surface: 302.923	Volume: 400.375
Hydrophobic surface: 596.168	Hydrophilic surface: 142.418

Pharmacophoric Properties
Hydrogen bond donors: 2	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.