MMsINC Database Search


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MMsINC code: MMs00851306

Type: Neutral
Formula: C₁₆H₁₄FNS

SMILES:

S(Cc1ccc(F)cc1)c1c2c(n(c1)C)cccc2

InChI:

InChI=1/C16H14FNS/c1-18-10-16(14-4-2-3-5-15(14)18)19-11-12-6-8-13(17)9-7-12/h2-10H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.2601 kcal/mol

Physical Properties
Molecular Weight: 271.359 g/mol	logS: -4.65307	SlogP: 5.2353	Reactive groups: 0

Topological Properties
Globularity: 0.0545804	Sterimol/B1: 2.23325	Sterimol/B2: 3.6182	Sterimol/B3: 3.62035
Sterimol/B4: 7.76649	Sterimol/L: 16.002

Surface and Volume Properties
Accessible surface: 503.938	Positive charged surface: 278.557	Negative charged surface: 219.817	Volume: 263.25
Hydrophobic surface: 459.936	Hydrophilic surface: 44.002

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.