MMsINC Database Search


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MMsINC code: MMs01028702

Type: Neutral
Formula: C₁₈H₁₇FN₂O₂S

SMILES:

S1N(CCCC(=O)NCc2cc(F)ccc2)C(=O)c2c1cccc2

InChI:

InChI=1/C18H17FN2O2S/c19-14-6-3-5-13(11-14)12-20-17(22)9-4-10-21-18(23)15-7-1-2-8-16(15)24-21/h1-3,5-8,11H,4,9-10,12H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.1956 kcal/mol

Physical Properties
Molecular Weight: 344.41 g/mol	logS: -5.02632	SlogP: 3.6516	Reactive groups: 0

Topological Properties
Globularity: 0.0308927	Sterimol/B1: 2.72432	Sterimol/B2: 2.97933	Sterimol/B3: 4.28229
Sterimol/B4: 4.90185	Sterimol/L: 20.5175

Surface and Volume Properties
Accessible surface: 614.359	Positive charged surface: 339.355	Negative charged surface: 275.004	Volume: 316.25
Hydrophobic surface: 527.272	Hydrophilic surface: 87.087

Pharmacophoric Properties
Hydrogen bond donors: 1	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.