MMsINC Database Search


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MMsINC code: MMs02843182

Type: Neutral
Formula: C₁₅H₁₆N₄O₆S₂

SMILES:

S(=O)(=O)(NC(=O)C(=O)NS(=O)(=O)Cc1ccc(N)cc1)c1ccc(N)cc1

InChI:

InChI=1/C15H16N4O6S2/c16-11-3-1-10(2-4-11)9-26(22,23)18-14(20)15(21)19-27(24,25)13-7-5-12(17)6-8-13/h1-8H,9,16-17H2,(H,18,20)(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.9325 kcal/mol

Physical Properties
Molecular Weight: 412.447 g/mol	logS: -3.41538	SlogP: -0.4315	Reactive groups: 0

Topological Properties
Globularity: 0.066927	Sterimol/B1: 2.93602	Sterimol/B2: 4.31644	Sterimol/B3: 5.45608
Sterimol/B4: 5.56826	Sterimol/L: 18.0864

Surface and Volume Properties
Accessible surface: 631.799	Positive charged surface: 341.097	Negative charged surface: 290.702	Volume: 329.375
Hydrophobic surface: 297.16	Hydrophilic surface: 334.639

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	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.