MMsINC Database Search


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MMsINC code: MMs01373159

Type: Neutral
Formula: C₁₇H₁₈FN₃O₂S₂

SMILES:

S(=O)(=O)(N1CCN(CC1)C(=S)Nc1ccc(F)cc1)c1ccccc1

InChI:

InChI=1/C17H18FN3O2S2/c18-14-6-8-15(9-7-14)19-17(24)20-10-12-21(13-11-20)25(22,23)16-4-2-1-3-5-16/h1-9H,10-13H2,(H,19,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.9086 kcal/mol

Physical Properties
Molecular Weight: 379.48 g/mol	logS: -4.9275	SlogP: 2.529	Reactive groups: 0

Topological Properties
Globularity: 0.081204	Sterimol/B1: 3.50134	Sterimol/B2: 3.80175	Sterimol/B3: 4.74047
Sterimol/B4: 6.11776	Sterimol/L: 17.0937

Surface and Volume Properties
Accessible surface: 593.809	Positive charged surface: 305.768	Negative charged surface: 288.042	Volume: 331.625
Hydrophobic surface: 460.022	Hydrophilic surface: 133.787

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.