MMsINC Database Search


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MMsINC code: MMs02149808

Type: Neutral
Formula: C₁₅H₂₀N₄O₅S₂

SMILES:

S(=O)(=O)(N1CCOCC1)c1ccc(NS(=O)(=O)c2nc(n(c2)C)C)cc1

InChI:

InChI=1/C15H20N4O5S2/c1-12-16-15(11-18(12)2)25(20,21)17-13-3-5-14(6-4-13)26(22,23)19-7-9-24-10-8-19/h3-6,11,17H,7-10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.7365 kcal/mol

Physical Properties
Molecular Weight: 400.48 g/mol	logS: -2.05354	SlogP: 0.90942	Reactive groups: 0

Topological Properties
Globularity: 0.103673	Sterimol/B1: 2.12581	Sterimol/B2: 3.41487	Sterimol/B3: 4.84942
Sterimol/B4: 7.47963	Sterimol/L: 16.5171

Surface and Volume Properties
Accessible surface: 617.522	Positive charged surface: 407.984	Negative charged surface: 209.538	Volume: 335.625
Hydrophobic surface: 444.65	Hydrophilic surface: 172.872

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 6	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.