MMsINC Database Search


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MMsINC code: MMs00189528

Type: Neutral
Formula: C₁₉H₁₅FN₂O₃S

SMILES:

S(=O)(=O)(Nc1cc(F)ccc1)c1cc(ccc1)C(=O)Nc1ccccc1

InChI:

InChI=1/C19H15FN2O3S/c20-15-7-5-10-17(13-15)22-26(24,25)18-11-4-6-14(12-18)19(23)21-16-8-2-1-3-9-16/h1-13,22H,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.6419 kcal/mol

Physical Properties
Molecular Weight: 370.404 g/mol	logS: -5.31169	SlogP: 3.8788	Reactive groups: 0

Topological Properties
Globularity: 0.0995516	Sterimol/B1: 3.24857	Sterimol/B2: 4.14969	Sterimol/B3: 5.61027
Sterimol/B4: 5.6696	Sterimol/L: 17.3778

Surface and Volume Properties
Accessible surface: 592.264	Positive charged surface: 286.907	Negative charged surface: 305.357	Volume: 322.875
Hydrophobic surface: 475.969	Hydrophilic surface: 116.295

Pharmacophoric Properties
Hydrogen bond donors: 2	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.