MMsINC Database Search


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MMsINC code: MMs02749945

Type: Neutral
Formula: C₁₉H₂₆N₂O₄S₂

SMILES:

S(=O)(=O)(Nc1ccc(S(=O)(=O)N(CCC)CCC)cc1)c1ccc(cc1)C

InChI:

InChI=1/C19H26N2O4S2/c1-4-14-21(15-5-2)27(24,25)19-12-8-17(9-13-19)20-26(22,23)18-10-6-16(3)7-11-18/h6-13,20H,4-5,14-15H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.9361 kcal/mol

Physical Properties
Molecular Weight: 410.559 g/mol	logS: -4.49216	SlogP: 3.60652	Reactive groups: 0

Topological Properties
Globularity: 0.103853	Sterimol/B1: 2.35354	Sterimol/B2: 3.40092	Sterimol/B3: 5.16451
Sterimol/B4: 8.30906	Sterimol/L: 16.8566

Surface and Volume Properties
Accessible surface: 665.2	Positive charged surface: 390.361	Negative charged surface: 274.839	Volume: 379.5
Hydrophobic surface: 486.847	Hydrophilic surface: 178.353

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.