MMsINC Database Search


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MMsINC code: MMs02652089

Type: Neutral
Formula: C₁₅H₁₆FNO₂S

SMILES:

S(=O)(=O)(NCCc1ccc(F)cc1)c1ccc(cc1)C

InChI:

InChI=1/C15H16FNO2S/c1-12-2-8-15(9-3-12)20(18,19)17-11-10-13-4-6-14(16)7-5-13/h2-9,17H,10-11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.1093 kcal/mol

Physical Properties
Molecular Weight: 293.362 g/mol	logS: -3.82113	SlogP: 2.65509	Reactive groups: 0

Topological Properties
Globularity: 0.0958209	Sterimol/B1: 2.38418	Sterimol/B2: 3.47593	Sterimol/B3: 3.80778
Sterimol/B4: 7.68821	Sterimol/L: 14.5533

Surface and Volume Properties
Accessible surface: 527.102	Positive charged surface: 273.139	Negative charged surface: 253.963	Volume: 268.25
Hydrophobic surface: 444.907	Hydrophilic surface: 82.195

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.