MMsINC Database Search


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MMsINC code: MMs01631788

Type: Neutral
Formula: C₂₀H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N1CCOCC1)c1ccc(cc1)C(=O)N(Cc1ccc(cc1)C)C

InChI:

InChI=1/C20H24N2O4S/c1-16-3-5-17(6-4-16)15-21(2)20(23)18-7-9-19(10-8-18)27(24,25)22-11-13-26-14-12-22/h3-10H,11-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.7868 kcal/mol

Physical Properties
Molecular Weight: 388.488 g/mol	logS: -3.87188	SlogP: 2.55452	Reactive groups: 0

Topological Properties
Globularity: 0.0443139	Sterimol/B1: 2.53875	Sterimol/B2: 3.08725	Sterimol/B3: 4.94921
Sterimol/B4: 6.21429	Sterimol/L: 19.4643

Surface and Volume Properties
Accessible surface: 641.929	Positive charged surface: 429.119	Negative charged surface: 212.809	Volume: 361.25
Hydrophobic surface: 541.524	Hydrophilic surface: 100.405

Pharmacophoric Properties
Hydrogen bond donors: 0	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.