MMsINC Database Search


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MMsINC code: MMs02743061

Type: Neutral
Formula: C₁₅H₂₄N₂O₄S₂

SMILES:

S(=O)(=O)(N1CCCCC1)c1ccc(S(=O)(=O)NC(CC)C)cc1

InChI:

InChI=1/C15H24N2O4S2/c1-3-13(2)16-22(18,19)14-7-9-15(10-8-14)23(20,21)17-11-5-4-6-12-17/h7-10,13,16H,3-6,11-12H2,1-2H3/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=5.91502 kcal/mol

Physical Properties
Molecular Weight: 360.499 g/mol	logS: -2.74676	SlogP: 1.938	Reactive groups: 0

Topological Properties
Globularity: 0.0630889	Sterimol/B1: 3.26274	Sterimol/B2: 3.39152	Sterimol/B3: 4.75938
Sterimol/B4: 5.0302	Sterimol/L: 18.1302

Surface and Volume Properties
Accessible surface: 579.209	Positive charged surface: 363.153	Negative charged surface: 216.056	Volume: 322.625
Hydrophobic surface: 415.62	Hydrophilic surface: 163.589

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.