MMsINC Database Search


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MMsINC code: MMs03649647

Type: Neutral
Formula: C₁₉H₁₃FN₂OS₂

SMILES:

S1\C(=C\c2c3c(n(c2)C)cccc3)\C(=O)N(c2ccc(F)cc2)C1=S

InChI:

InChI=1/C19H13FN2OS2/c1-21-11-12(15-4-2-3-5-16(15)21)10-17-18(23)22(19(24)25-17)14-8-6-13(20)7-9-14/h2-11H,1H3/b17-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.1888 kcal/mol

Physical Properties
Molecular Weight: 368.456 g/mol	logS: -6.5407	SlogP: 5.0824	Reactive groups: 0

Topological Properties
Globularity: 0.103015	Sterimol/B1: 1.97427	Sterimol/B2: 2.4609	Sterimol/B3: 5.39625
Sterimol/B4: 8.3839	Sterimol/L: 15.3573

Surface and Volume Properties
Accessible surface: 592.471	Positive charged surface: 277.88	Negative charged surface: 308.346	Volume: 323.625
Hydrophobic surface: 457.322	Hydrophilic surface: 135.149

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.