MMsINC Database Search


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MMsINC code: MMs02000635

Type: Neutral
Formula: C₂₀H₁₉FN₂O₂S

SMILES:

S(=O)(=O)(c1cnc2c(cc(F)cc2)c1N1CCCC1)c1ccc(cc1)C

InChI:

InChI=1/C20H19FN2O2S/c1-14-4-7-16(8-5-14)26(24,25)19-13-22-18-9-6-15(21)12-17(18)20(19)23-10-2-3-11-23/h4-9,12-13H,2-3,10-11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=168.894 kcal/mol

Physical Properties
Molecular Weight: 370.448 g/mol	logS: -5.18666	SlogP: 4.11532	Reactive groups: 0

Topological Properties
Globularity: 0.188552	Sterimol/B1: 2.3562	Sterimol/B2: 4.5854	Sterimol/B3: 5.87594
Sterimol/B4: 6.4213	Sterimol/L: 14.747

Surface and Volume Properties
Accessible surface: 553.719	Positive charged surface: 315.651	Negative charged surface: 236	Volume: 328.75
Hydrophobic surface: 469.371	Hydrophilic surface: 84.348

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.