MMsINC Database Search


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MMsINC code: MMs01228291

Type: Neutral
Formula: C₁₅H₁₅F₂NO₂S

SMILES:

S(=O)(=O)(N(C(F)F)c1ccccc1C)c1ccc(cc1)C

InChI:

InChI=1/C15H15F2NO2S/c1-11-7-9-13(10-8-11)21(19,20)18(15(16)17)14-6-4-3-5-12(14)2/h3-10,15H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.1834 kcal/mol

Physical Properties
Molecular Weight: 311.352 g/mol	logS: -3.84056	SlogP: 4.14124	Reactive groups: 0

Topological Properties
Globularity: 0.113271	Sterimol/B1: 3.95713	Sterimol/B2: 3.96139	Sterimol/B3: 4.04868
Sterimol/B4: 5.56817	Sterimol/L: 13.7346

Surface and Volume Properties
Accessible surface: 495.794	Positive charged surface: 241.241	Negative charged surface: 254.553	Volume: 272.25
Hydrophobic surface: 389.331	Hydrophilic surface: 106.463

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.