MMsINC Database Search


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MMsINC code: MMs01372911

Type: Neutral
Formula: C₂₂H₁₉FN₂OS

SMILES:

S1c2c(N(c3c1cccc3)C(=O)CN(Cc1cc(F)ccc1)C)cccc2

InChI:

InChI=1/C22H19FN2OS/c1-24(14-16-7-6-8-17(23)13-16)15-22(26)25-18-9-2-4-11-20(18)27-21-12-5-3-10-19(21)25/h2-13H,14-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=216.512 kcal/mol

Physical Properties
Molecular Weight: 378.471 g/mol	logS: -5.86966	SlogP: 5.3534	Reactive groups: 0

Topological Properties
Globularity: 0.114008	Sterimol/B1: 2.46172	Sterimol/B2: 4.73284	Sterimol/B3: 6.3722
Sterimol/B4: 7.62743	Sterimol/L: 15.8315

Surface and Volume Properties
Accessible surface: 614.998	Positive charged surface: 340.341	Negative charged surface: 274.657	Volume: 349.375
Hydrophobic surface: 556.943	Hydrophilic surface: 58.055

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.