MMsINC Database Search


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MMsINC code: MMs01687533

Type: Neutral
Formula: C₂₀H₁₉FN₂O₄S

SMILES:

S(=O)(=O)(NCc1occc1)c1ccc(cc1)C(=O)NC(C)c1ccc(F)cc1

InChI:

InChI=1/C20H19FN2O4S/c1-14(15-4-8-17(21)9-5-15)23-20(24)16-6-10-19(11-7-16)28(25,26)22-13-18-3-2-12-27-18/h2-12,14,22H,13H2,1H3,(H,23,24)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.2289 kcal/mol

Physical Properties
Molecular Weight: 402.446 g/mol	logS: -5.27855	SlogP: 3.7501	Reactive groups: 0

Topological Properties
Globularity: 0.0671833	Sterimol/B1: 3.27599	Sterimol/B2: 3.70397	Sterimol/B3: 4.33576
Sterimol/B4: 7.60817	Sterimol/L: 18.0113

Surface and Volume Properties
Accessible surface: 666.355	Positive charged surface: 317.11	Negative charged surface: 349.246	Volume: 356.75
Hydrophobic surface: 513.099	Hydrophilic surface: 153.256

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.