MMsINC Database Search


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MMsINC code: MMs00872987

Type: Neutral
Formula: C₁₉H₁₄FNO₄S

SMILES:

s1cc(-c2ccc(OC)cc2)c(C(O)=O)c1NC(=O)c1ccccc1F

InChI:

InChI=1/C19H14FNO4S/c1-25-12-8-6-11(7-9-12)14-10-26-18(16(14)19(23)24)21-17(22)13-4-2-3-5-15(13)20/h2-10H,1H3,(H,21,22)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.7892 kcal/mol

Physical Properties
Molecular Weight: 371.388 g/mol	logS: -6.06102	SlogP: 4.5133	Reactive groups: 0

Topological Properties
Globularity: 0.0227457	Sterimol/B1: 2.54297	Sterimol/B2: 3.01056	Sterimol/B3: 3.78574
Sterimol/B4: 6.17789	Sterimol/L: 19.2167

Surface and Volume Properties
Accessible surface: 599.112	Positive charged surface: 315.577	Negative charged surface: 283.535	Volume: 322.5
Hydrophobic surface: 481.334	Hydrophilic surface: 117.778

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs00872988
CHEMDIV-ZINC02281373