MMsINC Database Search


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MMsINC code: MMs00977913

Type: Neutral
Formula: C₂₀H₁₉FN₂O₃S₂

SMILES:

s1cccc1S(=O)(=O)N(CC(=O)Nc1cc(F)c(cc1)C)c1ccc(cc1)C

InChI:

InChI=1/C20H19FN2O3S2/c1-14-5-9-17(10-6-14)23(28(25,26)20-4-3-11-27-20)13-19(24)22-16-8-7-15(2)18(21)12-16/h3-12H,13H2,1-2H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.3265 kcal/mol

Physical Properties
Molecular Weight: 418.513 g/mol	logS: -6.01311	SlogP: 4.33804	Reactive groups: 0

Topological Properties
Globularity: 0.0958444	Sterimol/B1: 2.1544	Sterimol/B2: 3.98556	Sterimol/B3: 4.40371
Sterimol/B4: 11.3095	Sterimol/L: 17.3721

Surface and Volume Properties
Accessible surface: 662.894	Positive charged surface: 339.556	Negative charged surface: 323.338	Volume: 368.125
Hydrophobic surface: 581.882	Hydrophilic surface: 81.012

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.