MMsINC Database Search


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MMsINC code: MMs02999422

Type: Neutral
Formula: C₂₄H₂₄FN₃O₂S

SMILES:

S(=O)(=O)(Nc1c2nc(n(c2cc(C)c1C)Cc1cc(ccc1)C)C)c1ccc(F)cc1

InChI:

InChI=1/C24H24FN3O2S/c1-15-6-5-7-19(12-15)14-28-18(4)26-24-22(28)13-16(2)17(3)23(24)27-31(29,30)21-10-8-20(25)9-11-21/h5-13,27H,14H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.6989 kcal/mol

Physical Properties
Molecular Weight: 437.539 g/mol	logS: -6.52391	SlogP: 5.52458	Reactive groups: 0

Topological Properties
Globularity: 0.116755	Sterimol/B1: 3.92274	Sterimol/B2: 3.95611	Sterimol/B3: 5.23375
Sterimol/B4: 7.10323	Sterimol/L: 17.5861

Surface and Volume Properties
Accessible surface: 670.367	Positive charged surface: 375.025	Negative charged surface: 295.342	Volume: 406.75
Hydrophobic surface: 582.137	Hydrophilic surface: 88.23

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.