MMsINC Database Search


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MMsINC code: MMs01707189

Type: Neutral
Formula: C₁₄H₁₅FN₂O₄S₂

SMILES:

S(=O)(=O)(NCCc1ccc(S(=O)(=O)N)cc1)c1ccccc1F

InChI:

InChI=1/C14H15FN2O4S2/c15-13-3-1-2-4-14(13)23(20,21)17-10-9-11-5-7-12(8-6-11)22(16,18)19/h1-8,17H,9-10H2,(H2,16,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=4.05623 kcal/mol

Physical Properties
Molecular Weight: 358.414 g/mol	logS: -3.57382	SlogP: 0.99407	Reactive groups: 0

Topological Properties
Globularity: 0.0606023	Sterimol/B1: 2.49737	Sterimol/B2: 3.57628	Sterimol/B3: 3.76264
Sterimol/B4: 6.90292	Sterimol/L: 16.8576

Surface and Volume Properties
Accessible surface: 562.417	Positive charged surface: 267.007	Negative charged surface: 295.41	Volume: 289.875
Hydrophobic surface: 346.339	Hydrophilic surface: 216.078

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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

MMs01707190
ENAMINE-ZINC06859791