MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02556024

Type: Neutral
Formula: C₂₄H₂₀N₂O₄S

SMILES:

S(=O)(=O)(N(C(=O)c1ccccc1C)c1ccc(OC)cc1)c1c2ncccc2ccc1

InChI:

InChI=1/C24H20N2O4S/c1-17-7-3-4-10-21(17)24(27)26(19-12-14-20(30-2)15-13-19)31(28,29)22-11-5-8-18-9-6-16-25-23(18)22/h3-16H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=151.398 kcal/mol

Physical Properties
Molecular Weight: 432.5 g/mol	logS: -6.40867	SlogP: 4.58752	Reactive groups: 0

Topological Properties
Globularity: 0.217743	Sterimol/B1: 2.41825	Sterimol/B2: 3.12255	Sterimol/B3: 6.2427
Sterimol/B4: 10.6797	Sterimol/L: 12.6837

Surface and Volume Properties
Accessible surface: 629.558	Positive charged surface: 376.054	Negative charged surface: 248.968	Volume: 391
Hydrophobic surface: 555.849	Hydrophilic surface: 73.709

Pharmacophoric Properties
Hydrogen bond donors: 0	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.