MMsINC Database Search


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MMsINC code: MMs02068246

Type: Neutral
Formula: C₁₅H₁₈N₂O₄S₂

SMILES:

s1cccc1CNS(=O)(=O)CCNC(=O)c1ccc(OC)cc1

InChI:

InChI=1/C15H18N2O4S2/c1-21-13-6-4-12(5-7-13)15(18)16-8-10-23(19,20)17-11-14-3-2-9-22-14/h2-7,9,17H,8,10-11H2,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.6523 kcal/mol

Physical Properties
Molecular Weight: 354.451 g/mol	logS: -2.96442	SlogP: 1.8725	Reactive groups: 0

Topological Properties
Globularity: 0.0166346	Sterimol/B1: 1.969	Sterimol/B2: 3.25947	Sterimol/B3: 3.34436
Sterimol/B4: 7.42132	Sterimol/L: 19.9377

Surface and Volume Properties
Accessible surface: 613.332	Positive charged surface: 341.932	Negative charged surface: 271.4	Volume: 311.75
Hydrophobic surface: 472.036	Hydrophilic surface: 141.296

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.