MMsINC Database Search


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MMsINC code: MMs02760598

Type: Neutral
Formula: C₁₄H₁₃F₃N₂O₂S₂

SMILES:

s1c(ccc1S(=O)(=O)N1CCCC1)-c1nccc(c1)C(F)(F)F

InChI:

InChI=1/C14H13F3N2O2S2/c15-14(16,17)10-5-6-18-11(9-10)12-3-4-13(22-12)23(20,21)19-7-1-2-8-19/h3-6,9H,1-2,7-8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.301 kcal/mol

Physical Properties
Molecular Weight: 362.396 g/mol	logS: -3.97822	SlogP: 3.9249	Reactive groups: 0

Topological Properties
Globularity: 0.0793951	Sterimol/B1: 2.34352	Sterimol/B2: 3.83441	Sterimol/B3: 4.47472
Sterimol/B4: 6.44601	Sterimol/L: 15.3413

Surface and Volume Properties
Accessible surface: 546.846	Positive charged surface: 267.131	Negative charged surface: 279.715	Volume: 285
Hydrophobic surface: 367.782	Hydrophilic surface: 179.064

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.