MMsINC Database Search


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MMsINC code: MMs00095518

Type: Neutral
Formula: C₁₆H₁₀FNOS

SMILES:

S1\C(=C\c2ccccc2F)\C(=O)N=C1c1ccccc1

InChI:

InChI=1/C16H10FNOS/c17-13-9-5-4-8-12(13)10-14-15(19)18-16(20-14)11-6-2-1-3-7-11/h1-10H/b14-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.6351 kcal/mol

Physical Properties
Molecular Weight: 283.326 g/mol	logS: -5.40709	SlogP: 3.8868	Reactive groups: 0

Topological Properties
Globularity: 0.00766856	Sterimol/B1: 2.31469	Sterimol/B2: 2.69604	Sterimol/B3: 3.31643
Sterimol/B4: 6.54801	Sterimol/L: 15.6671

Surface and Volume Properties
Accessible surface: 486.857	Positive charged surface: 232.582	Negative charged surface: 254.275	Volume: 255.875
Hydrophobic surface: 396.787	Hydrophilic surface: 90.07

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.