MMsINC Database Search


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MMsINC code: MMs00445061

Type: Neutral
Formula: C₁₄H₁₆N₂O₄S₂

SMILES:

s1cc(S(=O)(=O)Nc2ccccc2OC)cc1C(=O)NCC

InChI:

InChI=1/C14H16N2O4S2/c1-3-15-14(17)13-8-10(9-21-13)22(18,19)16-11-6-4-5-7-12(11)20-2/h4-9,16H,3H2,1-2H3,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.0247 kcal/mol

Physical Properties
Molecular Weight: 340.424 g/mol	logS: -3.37711	SlogP: 2.3072	Reactive groups: 0

Topological Properties
Globularity: 0.146385	Sterimol/B1: 3.40912	Sterimol/B2: 4.01985	Sterimol/B3: 5.54088
Sterimol/B4: 6.14564	Sterimol/L: 14.8381

Surface and Volume Properties
Accessible surface: 563.361	Positive charged surface: 325.903	Negative charged surface: 237.458	Volume: 292.625
Hydrophobic surface: 408.776	Hydrophilic surface: 154.585

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.