MMsINC Database Search


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MMsINC code: MMs03368765

Type: Neutral
Formula: C₁₉H₂₄N₂O₄S₂

SMILES:

S(Cc1ccccc1)CCNC(=O)CN(S(=O)(=O)C)c1ccc(OC)cc1

InChI:

InChI=1/C19H24N2O4S2/c1-25-18-10-8-17(9-11-18)21(27(2,23)24)14-19(22)20-12-13-26-15-16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.139 kcal/mol

Physical Properties
Molecular Weight: 408.543 g/mol	logS: -4.28117	SlogP: 2.7772	Reactive groups: 0

Topological Properties
Globularity: 0.0264171	Sterimol/B1: 2.34746	Sterimol/B2: 3.28107	Sterimol/B3: 3.80262
Sterimol/B4: 10.4899	Sterimol/L: 20.1748

Surface and Volume Properties
Accessible surface: 703.036	Positive charged surface: 432.581	Negative charged surface: 270.455	Volume: 379.75
Hydrophobic surface: 566.407	Hydrophilic surface: 136.629

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.