MMsINC Database Search


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

MMsINC code: MMs00902483

Type: Neutral
Formula: C₂₃H₃₄N₂O₄S₂

SMILES:

S(=O)(=O)(NCCC(C)C)c1ccc(cc1)Cc1ccc(S(=O)(=O)NCCC(C)C)cc1

InChI:

InChI=1/C23H34N2O4S2/c1-18(2)13-15-24-30(26,27)22-9-5-20(6-10-22)17-21-7-11-23(12-8-21)31(28,29)25-16-14-19(3)4/h5-12,18-19,24-25H,13-17H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.348 kcal/mol

Physical Properties
Molecular Weight: 466.667 g/mol	logS: -6.29606	SlogP: 3.92617	Reactive groups: 0

Topological Properties
Globularity: 0.0376625	Sterimol/B1: 2.93146	Sterimol/B2: 3.83467	Sterimol/B3: 4.60532
Sterimol/B4: 6.2517	Sterimol/L: 24.0819

Surface and Volume Properties
Accessible surface: 796.352	Positive charged surface: 488.812	Negative charged surface: 307.54	Volume: 447.25
Hydrophobic surface: 550.937	Hydrophilic surface: 245.415

Pharmacophoric Properties
Hydrogen bond donors: 2	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.