MMsINC Database Search


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MMsINC code: MMs01663557

Type: Neutral
Formula: C₁₉H₂₀FNO₆S

SMILES:

S(=O)(=O)(N1CCOCC1)c1cc(ccc1)C(OCCOc1ccccc1F)=O

InChI:

InChI=1/C19H20FNO6S/c20-17-6-1-2-7-18(17)26-12-13-27-19(22)15-4-3-5-16(14-15)28(23,24)21-8-10-25-11-9-21/h1-7,14H,8-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.796 kcal/mol

Physical Properties
Molecular Weight: 409.434 g/mol	logS: -4.11135	SlogP: 2.0824	Reactive groups: 0

Topological Properties
Globularity: 0.0353246	Sterimol/B1: 2.3195	Sterimol/B2: 4.12329	Sterimol/B3: 4.90334
Sterimol/B4: 5.39879	Sterimol/L: 20.1801

Surface and Volume Properties
Accessible surface: 668.431	Positive charged surface: 414.26	Negative charged surface: 254.171	Volume: 355.625
Hydrophobic surface: 560.325	Hydrophilic surface: 108.106

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.