MMsINC Database Search


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MMsINC code: MMs02055607

Type: Neutral
Formula: C₁₅H₁₆N₂O₄S₂

SMILES:

s1cccc1S(=O)(=O)NC1CC(=O)N(C1)c1ccc(OC)cc1

InChI:

InChI=1/C15H16N2O4S2/c1-21-13-6-4-12(5-7-13)17-10-11(9-14(17)18)16-23(19,20)15-3-2-8-22-15/h2-8,11,16H,9-10H2,1H3/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.8929 kcal/mol

Physical Properties
Molecular Weight: 352.435 g/mol	logS: -3.15945	SlogP: 1.8405	Reactive groups: 0

Topological Properties
Globularity: 0.0596153	Sterimol/B1: 3.6193	Sterimol/B2: 3.81174	Sterimol/B3: 3.91287
Sterimol/B4: 5.60274	Sterimol/L: 16.5815

Surface and Volume Properties
Accessible surface: 564.419	Positive charged surface: 309.638	Negative charged surface: 254.781	Volume: 301.5
Hydrophobic surface: 438.591	Hydrophilic surface: 125.828

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.