MMsINC Database Search


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MMsINC code: MMs01448230

Type: Neutral
Formula: C₁₅H₁₃F₂NO₃S

SMILES:

S(=O)(=O)(C(F)F)c1ccc(cc1)C(=O)NCc1ccccc1

InChI:

InChI=1/C15H13F2NO3S/c16-15(17)22(20,21)13-8-6-12(7-9-13)14(19)18-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.5984 kcal/mol

Physical Properties
Molecular Weight: 325.335 g/mol	logS: -3.52347	SlogP: 3.2992	Reactive groups: 0

Topological Properties
Globularity: 0.0647235	Sterimol/B1: 2.27016	Sterimol/B2: 3.54512	Sterimol/B3: 3.82732
Sterimol/B4: 6.09176	Sterimol/L: 16.099

Surface and Volume Properties
Accessible surface: 535.311	Positive charged surface: 244.63	Negative charged surface: 290.68	Volume: 272.625
Hydrophobic surface: 356.075	Hydrophilic surface: 179.236

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.