MMsINC Database Search


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MMsINC code: MMs00445025

Type: Neutral
Formula: C₁₄H₁₆N₂O₄S₂

SMILES:

s1cc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1C(=O)NC

InChI:

InChI=1/C14H16N2O4S2/c1-3-20-11-6-4-10(5-7-11)16-22(18,19)12-8-13(21-9-12)14(17)15-2/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)=39.3574 kcal/mol

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

Topological Properties
Globularity: 0.117567	Sterimol/B1: 3.20847	Sterimol/B2: 4.09158	Sterimol/B3: 4.12376
Sterimol/B4: 8.81129	Sterimol/L: 13.7074

Surface and Volume Properties
Accessible surface: 569.785	Positive charged surface: 336.258	Negative charged surface: 233.528	Volume: 293.375
Hydrophobic surface: 401.192	Hydrophilic surface: 168.593

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.