MMsINC Database Search


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MMsINC code: MMs01237091

Type: Neutral
Formula: C₁₆H₁₆FNO₄S

SMILES:

S(=O)(=O)(NC(Cc1cc(F)ccc1)C(O)=O)c1ccc(cc1)C

InChI:

InChI=1/C16H16FNO4S/c1-11-5-7-14(8-6-11)23(21,22)18-15(16(19)20)10-12-3-2-4-13(17)9-12/h2-9,15,18H,10H2,1H3,(H,19,20)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.181 kcal/mol

Physical Properties
Molecular Weight: 337.371 g/mol	logS: -3.81697	SlogP: 2.10829	Reactive groups: 0

Topological Properties
Globularity: 0.111483	Sterimol/B1: 3.5173	Sterimol/B2: 4.19504	Sterimol/B3: 4.36171
Sterimol/B4: 5.0329	Sterimol/L: 15.5131

Surface and Volume Properties
Accessible surface: 538.833	Positive charged surface: 278.212	Negative charged surface: 260.622	Volume: 293.625
Hydrophobic surface: 406.091	Hydrophilic surface: 132.742

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs01237092
ENAMINE-ZINC00985432