MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01570701

Type: Neutral
Formula: C₁₇H₁₄F₂N₂OS₂

SMILES:

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

InChI:

InChI=1/C17H14F2N2OS2/c1-23-8-9-24-17-20-14-5-3-2-4-12(14)16(22)21(17)15-7-6-11(18)10-13(15)19/h2-7,10H,8-9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.1364 kcal/mol

Physical Properties
Molecular Weight: 364.44 g/mol	logS: -6.539	SlogP: 4.7089	Reactive groups: 0

Topological Properties
Globularity: 0.0714763	Sterimol/B1: 3.63161	Sterimol/B2: 3.86048	Sterimol/B3: 5.68983
Sterimol/B4: 8.67705	Sterimol/L: 15.1614

Surface and Volume Properties
Accessible surface: 591.924	Positive charged surface: 305.872	Negative charged surface: 286.052	Volume: 312.625
Hydrophobic surface: 498.62	Hydrophilic surface: 93.304

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.