MMsINC Database Search


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MMsINC code: MMs01589470

Type: Neutral
Formula: C₁₆H₁₆FNO₃S

SMILES:

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

InChI:

InChI=1/C16H16FNO3S/c1-11(13-3-7-15(17)8-4-13)18-22(20,21)16-9-5-14(6-10-16)12(2)19/h3-11,18H,1-2H3/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.7595 kcal/mol

Physical Properties
Molecular Weight: 321.372 g/mol	logS: -3.92522	SlogP: 3.1633	Reactive groups: 0

Topological Properties
Globularity: 0.0769329	Sterimol/B1: 2.34828	Sterimol/B2: 3.27608	Sterimol/B3: 5.53225
Sterimol/B4: 5.54239	Sterimol/L: 16.6575

Surface and Volume Properties
Accessible surface: 530.702	Positive charged surface: 250.36	Negative charged surface: 280.342	Volume: 285.125
Hydrophobic surface: 398.333	Hydrophilic surface: 132.369

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: no related molecules available.