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MMsINC code: MMs02172415

Type: Neutral
Formula: C₁₈H₁₄FNO₄S

SMILES:

S(C1CC(=O)N(C1=O)c1cc(F)ccc1C)c1ccccc1C(O)=O

InChI:

InChI=1/C18H14FNO4S/c1-10-6-7-11(19)8-13(10)20-16(21)9-15(17(20)22)25-14-5-3-2-4-12(14)18(23)24/h2-8,15H,9H2,1H3,(H,23,24)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.356 kcal/mol

Physical Properties
Molecular Weight: 359.377 g/mol	logS: -5.13964	SlogP: 3.25652	Reactive groups: 0

Topological Properties
Globularity: 0.193873	Sterimol/B1: 2.61302	Sterimol/B2: 2.65959	Sterimol/B3: 6.4019
Sterimol/B4: 6.61223	Sterimol/L: 14.5339

Surface and Volume Properties
Accessible surface: 552.377	Positive charged surface: 283.661	Negative charged surface: 268.716	Volume: 307.25
Hydrophobic surface: 399.469	Hydrophilic surface: 152.908

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02172416
MAYBRIDGE-ZINC04371639