MMsINC Database Search


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MMsINC code: MMs00580700

Type: Neutral
Formula: C₁₄H₂₀FNO₂S

SMILES:

S(=O)(=O)(NC1CCCCC1C)c1cc(C)c(F)cc1

InChI:

InChI=1/C14H20FNO2S/c1-10-5-3-4-6-14(10)16-19(17,18)12-7-8-13(15)11(2)9-12/h7-10,14,16H,3-6H2,1-2H3/t10-,14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=13.4742 kcal/mol

Physical Properties
Molecular Weight: 285.383 g/mol	logS: -3.35122	SlogP: 2.99112	Reactive groups: 0

Topological Properties
Globularity: 0.136546	Sterimol/B1: 2.42619	Sterimol/B2: 4.47099	Sterimol/B3: 5.09283
Sterimol/B4: 5.19693	Sterimol/L: 13.4269

Surface and Volume Properties
Accessible surface: 486.314	Positive charged surface: 295.934	Negative charged surface: 190.38	Volume: 264.75
Hydrophobic surface: 394.271	Hydrophilic surface: 92.043

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.