MMsINC Database Search


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MMsINC code: MMs02887385

Type: Neutral
Formula: C₁₉H₁₃FN₂OS₂

SMILES:

S1\C(=C\c2c3c(n(c2)C)cccc3)\C(=O)N(c2cc(F)ccc2)C1=S

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.0557 kcal/mol

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

Topological Properties
Globularity: 0.105793	Sterimol/B1: 1.97266	Sterimol/B2: 2.49181	Sterimol/B3: 5.64798
Sterimol/B4: 8.36923	Sterimol/L: 15.163

Surface and Volume Properties
Accessible surface: 593.161	Positive charged surface: 277.984	Negative charged surface: 308.932	Volume: 327.625
Hydrophobic surface: 458.012	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.