MMsINC Database Search


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MMsINC code: MMs01666156

Type: Neutral
Formula: C₁₉H₂₄N₂O₃S₂

SMILES:

S(CCCNC(=O)CN(S(=O)(=O)c1ccc(cc1)C)C)c1ccccc1

InChI:

InChI=1/C19H24N2O3S2/c1-16-9-11-18(12-10-16)26(23,24)21(2)15-19(22)20-13-6-14-25-17-7-4-3-5-8-17/h3-5,7-12H,6,13-15H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.5526 kcal/mol

Physical Properties
Molecular Weight: 392.544 g/mol	logS: -4.96244	SlogP: 2.91412	Reactive groups: 0

Topological Properties
Globularity: 0.0482725	Sterimol/B1: 2.12782	Sterimol/B2: 3.78923	Sterimol/B3: 3.83596
Sterimol/B4: 9.68105	Sterimol/L: 18.8731

Surface and Volume Properties
Accessible surface: 679.194	Positive charged surface: 415.448	Negative charged surface: 263.746	Volume: 369.5
Hydrophobic surface: 549.935	Hydrophilic surface: 129.259

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.