MMsINC Database Search


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MMsINC code: MMs03178142

Type: Neutral
Formula: C₁₄H₁₃FO₂S

SMILES:

S(=O)(=O)(Cc1ccccc1F)c1ccc(cc1)C

InChI:

InChI=1/C14H13FO2S/c1-11-6-8-13(9-7-11)18(16,17)10-12-4-2-3-5-14(12)15/h2-9H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.1639 kcal/mol

Physical Properties
Molecular Weight: 264.32 g/mol	logS: -4.06237	SlogP: 3.37442	Reactive groups: 0

Topological Properties
Globularity: 0.031821	Sterimol/B1: 2.26352	Sterimol/B2: 3.62958	Sterimol/B3: 3.85686
Sterimol/B4: 3.87648	Sterimol/L: 15.5748

Surface and Volume Properties
Accessible surface: 473.08	Positive charged surface: 238.57	Negative charged surface: 234.51	Volume: 237.5
Hydrophobic surface: 423.889	Hydrophilic surface: 49.191

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.