MMsINC Database Search


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MMsINC code: MMs00127938

Type: Neutral
Formula: C₁₁H₁₄FNO₄S

SMILES:

S(=O)(=O)(N1CCOCC1)c1cc(F)ccc1OC

InChI:

InChI=1/C11H14FNO4S/c1-16-10-3-2-9(12)8-11(10)18(14,15)13-4-6-17-7-5-13/h2-3,8H,4-7H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.6541 kcal/mol

Physical Properties
Molecular Weight: 275.3 g/mol	logS: -1.93528	SlogP: 0.8552	Reactive groups: 0

Topological Properties
Globularity: 0.107739	Sterimol/B1: 2.33386	Sterimol/B2: 3.14811	Sterimol/B3: 4.22059
Sterimol/B4: 7.37254	Sterimol/L: 11.8464

Surface and Volume Properties
Accessible surface: 444.124	Positive charged surface: 298.626	Negative charged surface: 145.498	Volume: 231.25
Hydrophobic surface: 377.884	Hydrophilic surface: 66.24

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.