MMsINC Database Search


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MMsINC code: MMs01659219

Type: Neutral
Formula: C₁₈H₁₄FN₃O₃S

SMILES:

S(=O)(=O)(Nc1ccccc1C(=O)Nc1cccnc1)c1ccc(F)cc1

InChI:

InChI=1/C18H14FN3O3S/c19-13-7-9-15(10-8-13)26(24,25)22-17-6-2-1-5-16(17)18(23)21-14-4-3-11-20-12-14/h1-12,22H,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.7793 kcal/mol

Physical Properties
Molecular Weight: 371.392 g/mol	logS: -4.05355	SlogP: 3.2738	Reactive groups: 0

Topological Properties
Globularity: 0.15391	Sterimol/B1: 2.27359	Sterimol/B2: 3.48309	Sterimol/B3: 5.81163
Sterimol/B4: 9.05116	Sterimol/L: 14.2017

Surface and Volume Properties
Accessible surface: 566.749	Positive charged surface: 308.141	Negative charged surface: 258.608	Volume: 312.875
Hydrophobic surface: 452.875	Hydrophilic surface: 113.874

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.