MMsINC Database Search


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MMsINC code: MMs02284037

Type: Neutral
Formula: C₁₅H₁₈N₂O₄S₂

SMILES:

S(=O)(=O)(NCNS(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)C

InChI:

InChI=1/C15H18N2O4S2/c1-12-3-7-14(8-4-12)22(18,19)16-11-17-23(20,21)15-9-5-13(2)6-10-15/h3-10,16-17H,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-24.4629 kcal/mol

Physical Properties
Molecular Weight: 354.451 g/mol	logS: -3.50852	SlogP: 1.51774	Reactive groups: 0

Topological Properties
Globularity: 0.0911601	Sterimol/B1: 2.42571	Sterimol/B2: 3.51842	Sterimol/B3: 5.49481
Sterimol/B4: 5.92774	Sterimol/L: 16.5322

Surface and Volume Properties
Accessible surface: 587.005	Positive charged surface: 291.567	Negative charged surface: 295.438	Volume: 307.375
Hydrophobic surface: 415.85	Hydrophilic surface: 171.155

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

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Ions/Tautomers related molecules: no related molecules available.