MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02196096

Type: Neutral
Formula: C₁₄H₂₄N₂O₄S₂

SMILES:

S(=O)(=O)(N(CC)CC)c1ccccc1S(=O)(=O)N(CC)CC

InChI:

InChI=1/C14H24N2O4S2/c1-5-15(6-2)21(17,18)13-11-9-10-12-14(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)=25.8222 kcal/mol

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

Topological Properties
Globularity: 0.14191	Sterimol/B1: 2.51828	Sterimol/B2: 2.97967	Sterimol/B3: 5.29723
Sterimol/B4: 6.05124	Sterimol/L: 13.968

Surface and Volume Properties
Accessible surface: 544.352	Positive charged surface: 351.282	Negative charged surface: 193.07	Volume: 316.625
Hydrophobic surface: 392.484	Hydrophilic surface: 151.868

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.