MMsINC Database Search


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MMsINC code: MMs02651410

Type: Neutral
Formula: C₁₄H₂₄N₂O₄S₂

SMILES:

S(=O)(=O)(N(CC)CC)c1cc(S(=O)(=O)N(CC)CC)ccc1

InChI:

InChI=1/C14H24N2O4S2/c1-5-15(6-2)21(17,18)13-10-9-11-14(12-13)22(19,20)16(7-3)8-4/h9-12H,5-8H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=14.3838 kcal/mol

Physical Properties
Molecular Weight: 348.488 g/mol	logS: -2.52084	SlogP: 1.7476	Reactive groups: 0

Topological Properties
Globularity: 0.0979584	Sterimol/B1: 2.72184	Sterimol/B2: 2.94558	Sterimol/B3: 5.47853
Sterimol/B4: 7.03118	Sterimol/L: 15.0921

Surface and Volume Properties
Accessible surface: 555.126	Positive charged surface: 340.22	Negative charged surface: 214.905	Volume: 321.125
Hydrophobic surface: 375.051	Hydrophilic surface: 180.075

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.