MMsINC Database Search


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MMsINC code: MMs03251225

Type: Neutral
Formula: C₁₀H₁₅N₃O₅S₂

SMILES:

S(=O)(=O)(NC(=O)C)c1ccc(NS(=O)(=O)N(C)C)cc1

InChI:

InChI=1/C10H15N3O5S2/c1-8(14)11-19(15,16)10-6-4-9(5-7-10)12-20(17,18)13(2)3/h4-7,12H,1-3H3,(H,11,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-26.1934 kcal/mol

Physical Properties
Molecular Weight: 321.378 g/mol	logS: -1.42827	SlogP: -0.2703	Reactive groups: 0

Topological Properties
Globularity: 0.115289	Sterimol/B1: 2.8638	Sterimol/B2: 3.88964	Sterimol/B3: 4.03677
Sterimol/B4: 5.86547	Sterimol/L: 15.1604

Surface and Volume Properties
Accessible surface: 503.075	Positive charged surface: 304.479	Negative charged surface: 198.596	Volume: 258.375
Hydrophobic surface: 310.727	Hydrophilic surface: 192.348

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.