MMsINC Database Search


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MMsINC code: MMs02704040

Type: Neutral
Formula: C₁₁H₁₈N₂O₄S₂

SMILES:

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

InChI:

InChI=1/C11H18N2O4S2/c1-4-13(5-2)19(16,17)11-8-6-10(7-9-11)12-18(3,14)15/h6-9,12H,4-5H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.6415 kcal/mol

Physical Properties
Molecular Weight: 306.407 g/mol	logS: -1.79084	SlogP: 1.0886	Reactive groups: 0

Topological Properties
Globularity: 0.0940182	Sterimol/B1: 2.43625	Sterimol/B2: 2.52631	Sterimol/B3: 5.18121
Sterimol/B4: 5.94983	Sterimol/L: 14.7105

Surface and Volume Properties
Accessible surface: 499.305	Positive charged surface: 283.713	Negative charged surface: 215.592	Volume: 265.375
Hydrophobic surface: 311.847	Hydrophilic surface: 187.458

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

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Ions/Tautomers related molecules: no related molecules available.