MMsINC Database Search


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MMsINC code: MMs00202484

Type: Neutral
Formula: C₁₉H₁₄FN₃O₂S

SMILES:

s1c2nc3cc(OC)ccc3cc2c(N)c1C(=O)Nc1ccc(F)cc1

InChI:

InChI=1/C19H14FN3O2S/c1-25-13-7-2-10-8-14-16(21)17(26-19(14)23-15(10)9-13)18(24)22-12-5-3-11(20)4-6-12/h2-9H,21H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.1353 kcal/mol

Physical Properties
Molecular Weight: 367.404 g/mol	logS: -6.4275	SlogP: 4.4317	Reactive groups: 0

Topological Properties
Globularity: 0.00782212	Sterimol/B1: 2.64605	Sterimol/B2: 2.72911	Sterimol/B3: 3.39821
Sterimol/B4: 4.96876	Sterimol/L: 21.0127

Surface and Volume Properties
Accessible surface: 590.026	Positive charged surface: 325.074	Negative charged surface: 254.426	Volume: 321
Hydrophobic surface: 469.505	Hydrophilic surface: 120.521

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.