MMsINC Database Search


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MMsINC code: MMs00903461

Type: Neutral
Formula: C₂₄H₂₃FN₂O₃S

SMILES:

S(=O)(=O)(N(CC=C)c1ccccc1)c1cc(C(=O)Nc2cccc(C)c2C)c(F)cc1

InChI:

InChI=1/C24H23FN2O3S/c1-4-15-27(19-10-6-5-7-11-19)31(29,30)20-13-14-22(25)21(16-20)24(28)26-23-12-8-9-17(2)18(23)3/h4-14,16H,1,15H2,2-3H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.743 kcal/mol

Physical Properties
Molecular Weight: 438.523 g/mol	logS: -6.51789	SlogP: 5.07614	Reactive groups: 0

Topological Properties
Globularity: 0.100562	Sterimol/B1: 3.20268	Sterimol/B2: 3.85478	Sterimol/B3: 5.57735
Sterimol/B4: 8.47716	Sterimol/L: 17.8565

Surface and Volume Properties
Accessible surface: 685.428	Positive charged surface: 370.08	Negative charged surface: 315.349	Volume: 408.625
Hydrophobic surface: 567.066	Hydrophilic surface: 118.362

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

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Ions/Tautomers related molecules: no related molecules available.