MMsINC Database Search


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MMsINC code: MMs03706576

Type: Neutral
Formula: C₁₂H₁₈FNO₂S

SMILES:

S(=O)(=O)(N(CCCC)C)c1cc(F)ccc1C

InChI:

InChI=1/C12H18FNO2S/c1-4-5-8-14(3)17(15,16)12-9-11(13)7-6-10(12)2/h6-7,9H,4-5,8H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.7619 kcal/mol

Physical Properties
Molecular Weight: 259.345 g/mol	logS: -2.79809	SlogP: 2.55472	Reactive groups: 0

Topological Properties
Globularity: 0.0874732	Sterimol/B1: 2.96623	Sterimol/B2: 4.18592	Sterimol/B3: 4.45566
Sterimol/B4: 4.89862	Sterimol/L: 13.8671

Surface and Volume Properties
Accessible surface: 463.969	Positive charged surface: 278.959	Negative charged surface: 185.009	Volume: 242
Hydrophobic surface: 391.896	Hydrophilic surface: 72.073

Pharmacophoric Properties
Hydrogen bond donors: 0	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.