MMsINC Database Search


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MMsINC code: MMs00410256

Type: Neutral
Formula: C₁₀H₁₀FN₂S+

SMILES:

S(C)c1[nH+]c(c[nH]1)-c1ccc(F)cc1

InChI:

InChI=1/C10H9FN2S/c1-14-10-12-6-9(13-10)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13)/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=16.2898 kcal/mol

Physical Properties
Molecular Weight: 209.268 g/mol	logS: -4.27801	SlogP: 2.3568	Reactive groups: 0

Topological Properties
Globularity: 0.0273571	Sterimol/B1: 2.28691	Sterimol/B2: 3.18256	Sterimol/B3: 3.71099
Sterimol/B4: 5.02632	Sterimol/L: 13.6136

Surface and Volume Properties
Accessible surface: 406.309	Positive charged surface: 232.383	Negative charged surface: 173.926	Volume: 192
Hydrophobic surface: 287.91	Hydrophilic surface: 118.399

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 2
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

MMs00410257
ASINEX-ZINC04945306