MMsINC Database Search


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MMsINC code: MMs00187656

Type: Neutral
Formula: C₂₄H₂₆N₂O₄S

SMILES:

S(=O)(=O)(N(Cc1ccc(cc1)C(=O)Nc1ccc(OC)cc1)c1cc(C)c(cc1)C)C

InChI:

InChI=1/C24H26N2O4S/c1-17-5-12-22(15-18(17)2)26(31(4,28)29)16-19-6-8-20(9-7-19)24(27)25-21-10-13-23(30-3)14-11-21/h5-15H,16H2,1-4H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.612 kcal/mol

Physical Properties
Molecular Weight: 438.548 g/mol	logS: -6.03455	SlogP: 4.79694	Reactive groups: 0

Topological Properties
Globularity: 0.0480975	Sterimol/B1: 2.06598	Sterimol/B2: 3.16475	Sterimol/B3: 4.63251
Sterimol/B4: 9.27857	Sterimol/L: 19.9463

Surface and Volume Properties
Accessible surface: 727.758	Positive charged surface: 446.622	Negative charged surface: 281.137	Volume: 417
Hydrophobic surface: 627.575	Hydrophilic surface: 100.183

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.