MMsINC Database Search


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MMsINC code: MMs00866483

Type: Neutral
Formula: C₁₈H₁₇FN₂O₂S₂

SMILES:

S(c1c(n(S(=O)(=O)c2ccc(F)cc2)nc1C)C)c1ccc(cc1)C

InChI:

InChI=1/C18H17FN2O2S2/c1-12-4-8-16(9-5-12)24-18-13(2)20-21(14(18)3)25(22,23)17-10-6-15(19)7-11-17/h4-11H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.534 kcal/mol

Physical Properties
Molecular Weight: 376.476 g/mol	logS: -6.00282	SlogP: 4.33566	Reactive groups: 0

Topological Properties
Globularity: 0.0881479	Sterimol/B1: 3.06628	Sterimol/B2: 3.45059	Sterimol/B3: 5.4755
Sterimol/B4: 6.04523	Sterimol/L: 17.6562

Surface and Volume Properties
Accessible surface: 602.207	Positive charged surface: 288.809	Negative charged surface: 313.398	Volume: 332.875
Hydrophobic surface: 533.045	Hydrophilic surface: 69.162

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.