MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02729487

Type: Neutral
Formula: C₂₄H₂₆F₂N₂O₃S₂

SMILES:

s1ccc(C)c1CN(Cc1ccc(F)cc1)C(=O)CN(S(=O)(=O)c1ccc(F)cc1)C(C)C

InChI:

InChI=1/C24H26F2N2O3S2/c1-17(2)28(33(30,31)22-10-8-21(26)9-11-22)16-24(29)27(15-23-18(3)12-13-32-23)14-19-4-6-20(25)7-5-19/h4-13,17H,14-16H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.81 kcal/mol

Physical Properties
Molecular Weight: 492.611 g/mol	logS: -6.11234	SlogP: 5.49562	Reactive groups: 0

Topological Properties
Globularity: 0.413713	Sterimol/B1: 3.73771	Sterimol/B2: 4.03634	Sterimol/B3: 7.32724
Sterimol/B4: 9.9106	Sterimol/L: 14.1821

Surface and Volume Properties
Accessible surface: 686.531	Positive charged surface: 340.036	Negative charged surface: 346.495	Volume: 439.375
Hydrophobic surface: 596.776	Hydrophilic surface: 89.755

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: 1	Oprea's lead like rule: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.