MMsINC Database Search


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MMsINC code: MMs00718820

Type: Neutral
Formula: C₁₈H₁₈F₂N₂O₂S

SMILES:

S(CCC(=O)Nc1ccc(F)cc1)CCC(=O)Nc1ccc(F)cc1

InChI:

InChI=1/C18H18F2N2O2S/c19-13-1-5-15(6-2-13)21-17(23)9-11-25-12-10-18(24)22-16-7-3-14(20)4-8-16/h1-8H,9-12H2,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.8374 kcal/mol

Physical Properties
Molecular Weight: 364.416 g/mol	logS: -4.92908	SlogP: 4.0554	Reactive groups: 0

Topological Properties
Globularity: 0.0156332	Sterimol/B1: 2.1846	Sterimol/B2: 3.2445	Sterimol/B3: 3.69364
Sterimol/B4: 4.9763	Sterimol/L: 21.9289

Surface and Volume Properties
Accessible surface: 642.059	Positive charged surface: 368.605	Negative charged surface: 273.454	Volume: 328.875
Hydrophobic surface: 527.228	Hydrophilic surface: 114.831

Pharmacophoric Properties
Hydrogen bond donors: 2	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.