MMsINC Database Search


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MMsINC code: MMs03198194

Type: Neutral
Formula: C₂₀H₁₅FN₂OS₂

SMILES:

S1\C(=C/c2c3c(n(c2)Cc2ccc(F)cc2)cccc3)\C(=O)N(C)C1=S

InChI:

InChI=1/C20H15FN2OS2/c1-22-19(24)18(26-20(22)25)10-14-12-23(17-5-3-2-4-16(14)17)11-13-6-8-15(21)9-7-13/h2-10,12H,11H2,1H3/b18-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.2212 kcal/mol

Physical Properties
Molecular Weight: 382.483 g/mol	logS: -6.48474	SlogP: 4.9261	Reactive groups: 0

Topological Properties
Globularity: 0.112848	Sterimol/B1: 2.42132	Sterimol/B2: 3.94502	Sterimol/B3: 5.61866
Sterimol/B4: 8.18419	Sterimol/L: 16.7975

Surface and Volume Properties
Accessible surface: 605.173	Positive charged surface: 291.511	Negative charged surface: 307.811	Volume: 342.125
Hydrophobic surface: 454.472	Hydrophilic surface: 150.701

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.