MMsINC Database Search


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MMsINC code: MMs00903466

Type: Neutral
Formula: C₂₄H₂₅FN₂O₃S

SMILES:

S(=O)(=O)(N(CC)c1cc(ccc1)C)c1cc(C(=O)Nc2cccc(C)c2C)c(F)cc1

InChI:

InChI=1/C24H25FN2O3S/c1-5-27(19-10-6-8-16(2)14-19)31(29,30)20-12-13-22(25)21(15-20)24(28)26-23-11-7-9-17(3)18(23)4/h6-15H,5H2,1-4H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.443 kcal/mol

Physical Properties
Molecular Weight: 440.539 g/mol	logS: -6.82279	SlogP: 5.21846	Reactive groups: 0

Topological Properties
Globularity: 0.0554843	Sterimol/B1: 2.1774	Sterimol/B2: 3.34793	Sterimol/B3: 6.09125
Sterimol/B4: 7.02506	Sterimol/L: 18.7695

Surface and Volume Properties
Accessible surface: 692.919	Positive charged surface: 377.834	Negative charged surface: 315.085	Volume: 410.5
Hydrophobic surface: 593.643	Hydrophilic surface: 99.276

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.