MMsINC Database Search


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MMsINC code: MMs02058147

Type: Neutral
Formula: C₁₉H₁₆FNO₄S

SMILES:

S(=O)(=O)(C(CNC(=O)c1ccc(F)cc1)c1occc1)c1ccccc1

InChI:

InChI=1/C19H16FNO4S/c20-15-10-8-14(9-11-15)19(22)21-13-18(17-7-4-12-25-17)26(23,24)16-5-2-1-3-6-16/h1-12,18H,13H2,(H,21,22)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.8535 kcal/mol

Physical Properties
Molecular Weight: 373.404 g/mol	logS: -5.28049	SlogP: 3.4592	Reactive groups: 0

Topological Properties
Globularity: 0.0507669	Sterimol/B1: 2.81437	Sterimol/B2: 3.87285	Sterimol/B3: 3.94779
Sterimol/B4: 7.74154	Sterimol/L: 16.2279

Surface and Volume Properties
Accessible surface: 589.273	Positive charged surface: 286.246	Negative charged surface: 303.026	Volume: 326.625
Hydrophobic surface: 506.189	Hydrophilic surface: 83.084

Pharmacophoric Properties
Hydrogen bond donors: 1	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.