MMsINC Database Search


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MMsINC code: MMs02244705

Type: Neutral
Formula: C₁₅H₁₃FO₂S

SMILES:

S(=O)(=O)(\C=C\c1ccc(F)cc1)Cc1ccccc1

InChI:

InChI=1/C15H13FO2S/c16-15-8-6-13(7-9-15)10-11-19(17,18)12-14-4-2-1-3-5-14/h1-11H,12H2/b11-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.706 kcal/mol

Physical Properties
Molecular Weight: 276.331 g/mol	logS: -3.80506	SlogP: 3.6778	Reactive groups: 0

Topological Properties
Globularity: 0.0267744	Sterimol/B1: 2.85815	Sterimol/B2: 3.52121	Sterimol/B3: 3.74271
Sterimol/B4: 4.02814	Sterimol/L: 17.0344

Surface and Volume Properties
Accessible surface: 500.566	Positive charged surface: 236.696	Negative charged surface: 263.87	Volume: 251.875
Hydrophobic surface: 446.301	Hydrophilic surface: 54.265

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.