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MMsINC code: MMs01272792

Type: Neutral
Formula: C₁₄H₁₅N₃O₅S₂

SMILES:

S(=O)(=O)(NC)c1cc(ccc1)C(=O)Nc1ccc(S(=O)(=O)N)cc1

InChI:

InChI=1/C14H15N3O5S2/c1-16-24(21,22)13-4-2-3-10(9-13)14(18)17-11-5-7-12(8-6-11)23(15,19)20/h2-9,16H,1H3,(H,17,18)(H2,15,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.3676 kcal/mol

Physical Properties
Molecular Weight: 369.422 g/mol	logS: -3.41946	SlogP: 0.4944	Reactive groups: 0

Topological Properties
Globularity: 0.0321916	Sterimol/B1: 2.21163	Sterimol/B2: 2.30802	Sterimol/B3: 4.60501
Sterimol/B4: 7.39849	Sterimol/L: 17.5408

Surface and Volume Properties
Accessible surface: 576.32	Positive charged surface: 306.345	Negative charged surface: 269.975	Volume: 298
Hydrophobic surface: 318.771	Hydrophilic surface: 257.549

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs01272793
ENAMINE-ZINC02646932