MMsINC Database Search


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MMsINC code: MMs01338395

Type: Neutral
Formula: C₁₅H₁₂F₅NO₂S

SMILES:

S(=O)(=O)(N(C(F)F)c1cc(ccc1)C(F)(F)F)c1ccc(cc1)C

InChI:

InChI=1/C15H12F5NO2S/c1-10-5-7-13(8-6-10)24(22,23)21(14(16)17)12-4-2-3-11(9-12)15(18,19)20/h2-9,14H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.5347 kcal/mol

Physical Properties
Molecular Weight: 365.322 g/mol	logS: -4.73664	SlogP: 5.16312	Reactive groups: 0

Topological Properties
Globularity: 0.154821	Sterimol/B1: 3.20251	Sterimol/B2: 3.96601	Sterimol/B3: 4.03178
Sterimol/B4: 6.81105	Sterimol/L: 13.4921

Surface and Volume Properties
Accessible surface: 523.087	Positive charged surface: 197.831	Negative charged surface: 325.255	Volume: 282
Hydrophobic surface: 307.071	Hydrophilic surface: 216.016

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.