MMsINC Database Search


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MMsINC code: MMs02051020

Type: Neutral
Formula: C₁₆H₁₇FN₂O₃S

SMILES:

S(=O)(=O)(NCC(=O)Nc1ccc(F)cc1)c1cc(ccc1C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.5059 kcal/mol

Physical Properties
Molecular Weight: 336.387 g/mol	logS: -4.14866	SlogP: 2.35954	Reactive groups: 0

Topological Properties
Globularity: 0.0891177	Sterimol/B1: 2.14351	Sterimol/B2: 4.095	Sterimol/B3: 4.66453
Sterimol/B4: 6.97222	Sterimol/L: 17.148

Surface and Volume Properties
Accessible surface: 565.355	Positive charged surface: 300.157	Negative charged surface: 265.198	Volume: 298.625
Hydrophobic surface: 448.347	Hydrophilic surface: 117.008

Pharmacophoric Properties
Hydrogen bond donors: 2	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.