MMsINC Database Search


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MMsINC code: MMs01517535

Type: Neutral
Formula: C₁₅H₁₆FNO₂S

SMILES:

S(=O)(=O)(Nc1cc(F)ccc1C)c1cc(C)c(cc1)C

InChI:

InChI=1/C15H16FNO2S/c1-10-5-7-14(8-12(10)3)20(18,19)17-15-9-13(16)6-4-11(15)2/h4-9,17H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.4382 kcal/mol

Physical Properties
Molecular Weight: 293.362 g/mol	logS: -4.45001	SlogP: 3.55176	Reactive groups: 0

Topological Properties
Globularity: 0.253033	Sterimol/B1: 2.61563	Sterimol/B2: 4.77346	Sterimol/B3: 4.81867
Sterimol/B4: 6.05561	Sterimol/L: 11.957

Surface and Volume Properties
Accessible surface: 487.781	Positive charged surface: 245.525	Negative charged surface: 242.256	Volume: 265.375
Hydrophobic surface: 412.396	Hydrophilic surface: 75.385

Pharmacophoric Properties
Hydrogen bond donors: 1	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.