MMsINC Database Search


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MMsINC code: MMs01400140

Type: Neutral
Formula: C₂₃H₁₈FNO₅S

SMILES:

S(=O)(=O)(Nc1cc2c(oc(C)c2C(OCc2ccccc2)=O)cc1)c1ccc(F)cc1

InChI:

InChI=1/C23H18FNO5S/c1-15-22(23(26)29-14-16-5-3-2-4-6-16)20-13-18(9-12-21(20)30-15)25-31(27,28)19-10-7-17(24)8-11-19/h2-13,25H,14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.6007 kcal/mol

Physical Properties
Molecular Weight: 439.463 g/mol	logS: -7.25005	SlogP: 5.30452	Reactive groups: 0

Topological Properties
Globularity: 0.128978	Sterimol/B1: 2.4681	Sterimol/B2: 4.73563	Sterimol/B3: 4.88573
Sterimol/B4: 9.04378	Sterimol/L: 17.1383

Surface and Volume Properties
Accessible surface: 706.808	Positive charged surface: 345.55	Negative charged surface: 356.796	Volume: 384.375
Hydrophobic surface: 578.781	Hydrophilic surface: 128.027

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.