MMsINC Database Search


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MMsINC code: MMs00113812

Type: Neutral
Formula: C₁₇H₁₇FN₂O₃S

SMILES:

S(=O)(=O)(N1CCN(CC1)C(=O)c1ccc(F)cc1)c1ccccc1

InChI:

InChI=1/C17H17FN2O3S/c18-15-8-6-14(7-9-15)17(21)19-10-12-20(13-11-19)24(22,23)16-4-2-1-3-5-16/h1-9H,10-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.1337 kcal/mol

Physical Properties
Molecular Weight: 348.398 g/mol	logS: -3.57674	SlogP: 1.9724	Reactive groups: 0

Topological Properties
Globularity: 0.104462	Sterimol/B1: 2.99476	Sterimol/B2: 3.31675	Sterimol/B3: 5.42615
Sterimol/B4: 6.07399	Sterimol/L: 15.9544

Surface and Volume Properties
Accessible surface: 550.167	Positive charged surface: 303.407	Negative charged surface: 246.76	Volume: 305.625
Hydrophobic surface: 466.308	Hydrophilic surface: 83.859

Pharmacophoric Properties
Hydrogen bond donors: 0	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.