MMsINC Database Search


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MMsINC code: MMs01268416

Type: Neutral
Formula: C₁₈H₁₄F₂N₂O₄S

SMILES:

S(=O)(=O)(NCc1occc1)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1

InChI:

InChI=1/C18H14F2N2O4S/c19-13-8-12(9-14(20)10-13)18(23)22-15-3-5-17(6-4-15)27(24,25)21-11-16-2-1-7-26-16/h1-10,21H,11H2,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.1889 kcal/mol

Physical Properties
Molecular Weight: 392.382 g/mol	logS: -5.30228	SlogP: 3.555	Reactive groups: 0

Topological Properties
Globularity: 0.0510526	Sterimol/B1: 2.17412	Sterimol/B2: 2.37657	Sterimol/B3: 5.0696
Sterimol/B4: 7.29424	Sterimol/L: 19.8327

Surface and Volume Properties
Accessible surface: 615.452	Positive charged surface: 270.352	Negative charged surface: 345.1	Volume: 323.375
Hydrophobic surface: 478.192	Hydrophilic surface: 137.26

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.