MMsINC Database Search


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MMsINC code: MMs01293927

Type: Neutral
Formula: C₁₅H₁₀F₂N₂OS

SMILES:

S(C)C1=Nc2c(cccc2)C(=O)N1c1ccc(F)cc1F

InChI:

InChI=1/C15H10F2N2OS/c1-21-15-18-12-5-3-2-4-10(12)14(20)19(15)13-7-6-9(16)8-11(13)17/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.999 kcal/mol

Physical Properties
Molecular Weight: 304.32 g/mol	logS: -5.54712	SlogP: 3.9757	Reactive groups: 0

Topological Properties
Globularity: 0.0899548	Sterimol/B1: 2.42953	Sterimol/B2: 3.62523	Sterimol/B3: 3.86693
Sterimol/B4: 8.37446	Sterimol/L: 14.4884

Surface and Volume Properties
Accessible surface: 490.363	Positive charged surface: 237.032	Negative charged surface: 253.331	Volume: 256.625
Hydrophobic surface: 427.338	Hydrophilic surface: 63.025

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.