MMsINC Database Search


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MMsINC code: MMs00968562

Type: Neutral
Formula: C₁₆H₁₆N₄O₄S

SMILES:

S(=O)(=O)(NCc1cccnc1)c1cc2N(C)C(=O)C(=O)N(c2cc1)C

InChI:

InChI=1/C16H16N4O4S/c1-19-13-6-5-12(8-14(13)20(2)16(22)15(19)21)25(23,24)18-10-11-4-3-7-17-9-11/h3-9,18H,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.6845 kcal/mol

Physical Properties
Molecular Weight: 360.394 g/mol	logS: -2.07366	SlogP: 0.7657	Reactive groups: 0

Topological Properties
Globularity: 0.136004	Sterimol/B1: 2.27132	Sterimol/B2: 3.41539	Sterimol/B3: 5.91523
Sterimol/B4: 7.31643	Sterimol/L: 16.2115

Surface and Volume Properties
Accessible surface: 572.39	Positive charged surface: 369.271	Negative charged surface: 203.119	Volume: 309.625
Hydrophobic surface: 385.776	Hydrophilic surface: 186.614

Pharmacophoric Properties
Hydrogen bond donors: 1	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.