MMsINC Database Search


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MMsINC code: MMs02638444

Type: Neutral
Formula: C₁₃H₁₄N₂O₄S₂

SMILES:

S(=O)(=O)(N)c1ccc(cc1)Cc1ccc(S(=O)(=O)N)cc1

InChI:

InChI=1/C13H14N2O4S2/c14-20(16,17)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)21(15,18)19/h1-8H,9H2,(H2,14,16,17)(H2,15,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=6.8688 kcal/mol

Physical Properties
Molecular Weight: 326.397 g/mol	logS: -3.95448	SlogP: 0.57217	Reactive groups: 0

Topological Properties
Globularity: 0.101116	Sterimol/B1: 2.42501	Sterimol/B2: 3.41824	Sterimol/B3: 4.70213
Sterimol/B4: 4.83361	Sterimol/L: 16.8858

Surface and Volume Properties
Accessible surface: 523.541	Positive charged surface: 260.837	Negative charged surface: 262.704	Volume: 267.5
Hydrophobic surface: 258.536	Hydrophilic surface: 265.005

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

MMs02638445
PUBCHEM-ZINC00197450