MMsINC Database Search


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MMsINC code: MMs01432323

Type: Neutral
Formula: C₁₈H₁₄F₂N₂O₄S

SMILES:

s1c2c(nc1CNC(=O)COC(=O)c1cc(OC(F)F)ccc1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.6304 kcal/mol

Physical Properties
Molecular Weight: 392.382 g/mol	logS: -4.35826	SlogP: 4.0572	Reactive groups: 0

Topological Properties
Globularity: 0.0211149	Sterimol/B1: 2.79853	Sterimol/B2: 3.00383	Sterimol/B3: 4.8496
Sterimol/B4: 5.00039	Sterimol/L: 22.2204

Surface and Volume Properties
Accessible surface: 647.292	Positive charged surface: 335.307	Negative charged surface: 311.985	Volume: 330
Hydrophobic surface: 443.398	Hydrophilic surface: 203.894

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.