MMsINC Database Search


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MMsINC code: MMs02536431

Type: Neutral
Formula: C₁₅H₁₀FN₅O₂S₂

SMILES:

s1nc2c(n1)cccc2S(=O)(=O)n1nc(cc1N)-c1cc(F)ccc1

InChI:

InChI=1/C15H10FN5O2S2/c16-10-4-1-3-9(7-10)12-8-14(17)21(18-12)25(22,23)13-6-2-5-11-15(13)20-24-19-11/h1-8H,17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.801 kcal/mol

Physical Properties
Molecular Weight: 375.408 g/mol	logS: -4.99393	SlogP: 2.5131	Reactive groups: 0

Topological Properties
Globularity: 0.110442	Sterimol/B1: 2.89921	Sterimol/B2: 4.26978	Sterimol/B3: 4.57208
Sterimol/B4: 6.93541	Sterimol/L: 14.6561

Surface and Volume Properties
Accessible surface: 542.36	Positive charged surface: 270.188	Negative charged surface: 272.172	Volume: 295
Hydrophobic surface: 338.006	Hydrophilic surface: 204.354

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.