MMsINC Database Search


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MMsINC code: MMs01616673

Type: Neutral
Formula: C₁₆H₁₇FN₂O₃S

SMILES:

S(=O)(=O)(N(C)C)c1ccc(cc1)C(=O)NCc1ccc(F)cc1

InChI:

InChI=1/C16H17FN2O3S/c1-19(2)23(21,22)15-9-5-13(6-10-15)16(20)18-11-12-3-7-14(17)8-4-12/h3-10H,11H2,1-2H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.3513 kcal/mol

Physical Properties
Molecular Weight: 336.387 g/mol	logS: -3.50745	SlogP: 2.2724	Reactive groups: 0

Topological Properties
Globularity: 0.0608919	Sterimol/B1: 2.07322	Sterimol/B2: 3.38184	Sterimol/B3: 4.36635
Sterimol/B4: 6.91727	Sterimol/L: 17.1171

Surface and Volume Properties
Accessible surface: 576.027	Positive charged surface: 333.355	Negative charged surface: 242.672	Volume: 300.25
Hydrophobic surface: 473.963	Hydrophilic surface: 102.064

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.