MMsINC Database Search


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MMsINC code: MMs00445041

Type: Neutral
Formula: C₁₄H₁₄N₂O₅S₂

SMILES:

s1cc(S(=O)(=O)Nc2ccccc2C(OC)=O)cc1C(=O)NC

InChI:

InChI=1/C14H14N2O5S2/c1-15-13(17)12-7-9(8-22-12)23(19,20)16-11-6-4-3-5-10(11)14(18)21-2/h3-8,16H,1-2H3,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.496 kcal/mol

Physical Properties
Molecular Weight: 354.407 g/mol	logS: -3.38125	SlogP: 1.6951	Reactive groups: 0

Topological Properties
Globularity: 0.188947	Sterimol/B1: 3.61311	Sterimol/B2: 5.24711	Sterimol/B3: 5.85735
Sterimol/B4: 6.17859	Sterimol/L: 13.5986

Surface and Volume Properties
Accessible surface: 559.081	Positive charged surface: 329.782	Negative charged surface: 229.299	Volume: 293.125
Hydrophobic surface: 404.223	Hydrophilic surface: 154.858

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.