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MMsINC code: MMs03724060

Type: Neutral
Formula: C₁₈H₁₄F₃N₃OS

SMILES:

S1CC(=O)N(Cc2[nH]c3c(n2)cccc3)C1c1ccc(cc1)C(F)(F)F

InChI:

InChI=1/C18H14F3N3OS/c19-18(20,21)12-7-5-11(6-8-12)17-24(16(25)10-26-17)9-15-22-13-3-1-2-4-14(13)23-15/h1-8,17H,9-10H2,(H,22,23)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.6446 kcal/mol

Physical Properties
Molecular Weight: 377.39 g/mol	logS: -5.52244	SlogP: 5.0293	Reactive groups: 0

Topological Properties
Globularity: 0.113101	Sterimol/B1: 3.33785	Sterimol/B2: 3.41908	Sterimol/B3: 4.13949
Sterimol/B4: 7.60796	Sterimol/L: 15.9978

Surface and Volume Properties
Accessible surface: 588.791	Positive charged surface: 276.376	Negative charged surface: 312.415	Volume: 315.5
Hydrophobic surface: 374.921	Hydrophilic surface: 213.87

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.