MMsINC Database Search


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

MMsINC code: MMs03498732

Type: Neutral
Formula: C₁₅H₂₆N₂O₄S₂

SMILES:

S(=O)(=O)(N(CCCC)CCCC)c1ccc(NS(=O)(=O)C)cc1

InChI:

InChI=1/C15H26N2O4S2/c1-4-6-12-17(13-7-5-2)23(20,21)15-10-8-14(9-11-15)16-22(3,18)19/h8-11,16H,4-7,12-13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=14.9245 kcal/mol

Physical Properties
Molecular Weight: 362.515 g/mol	logS: -3.22482	SlogP: 2.649	Reactive groups: 0

Topological Properties
Globularity: 0.0876484	Sterimol/B1: 2.55416	Sterimol/B2: 2.58894	Sterimol/B3: 5.52311
Sterimol/B4: 9.13503	Sterimol/L: 16.7212

Surface and Volume Properties
Accessible surface: 618.143	Positive charged surface: 385.066	Negative charged surface: 233.077	Volume: 337.625
Hydrophobic surface: 427.906	Hydrophilic surface: 190.237

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.