MMsINC Database Search


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MMsINC code: MMs00236545

Type: Neutral
Formula: C₂₀H₂₀FN₃O₂S

SMILES:

S(CC(=O)N(CC)CC)C1=Nc2c(cccc2)C(=O)N1c1ccc(F)cc1

InChI:

InChI=1/C20H20FN3O2S/c1-3-23(4-2)18(25)13-27-20-22-17-8-6-5-7-16(17)19(26)24(20)15-11-9-14(21)10-12-15/h5-12H,3-4,13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.8445 kcal/mol

Physical Properties
Molecular Weight: 385.463 g/mol	logS: -5.97314	SlogP: 4.0752	Reactive groups: 0

Topological Properties
Globularity: 0.0774394	Sterimol/B1: 2.44106	Sterimol/B2: 4.93937	Sterimol/B3: 5.26208
Sterimol/B4: 9.15572	Sterimol/L: 14.8061

Surface and Volume Properties
Accessible surface: 641.644	Positive charged surface: 376.275	Negative charged surface: 265.369	Volume: 355.25
Hydrophobic surface: 515.722	Hydrophilic surface: 125.922

Pharmacophoric Properties
Hydrogen bond donors: 0	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.