MMsINC Database Search


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MMsINC code: MMs00014135

Type: Neutral
Formula: C₇H₆FNS

SMILES:

S=C(N)c1ccccc1F

InChI:

InChI=1/C7H6FNS/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.6882 kcal/mol

Physical Properties
Molecular Weight: 155.196 g/mol	logS: -2.98537	SlogP: 1.4599	Reactive groups: 0

Topological Properties
Globularity: 1.7016e-07	Sterimol/B1: 2.33153	Sterimol/B2: 2.33447	Sterimol/B3: 2.50519
Sterimol/B4: 5.80954	Sterimol/L: 9.85652

Surface and Volume Properties
Accessible surface: 312.985	Positive charged surface: 143.445	Negative charged surface: 169.54	Volume: 137.125
Hydrophobic surface: 189.018	Hydrophilic surface: 123.967

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.