MMsINC Database Search


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MMsINC code: MMs02687533

Type: Neutral
Formula: C₁₃H₁₁ClFNO₂S

SMILES:

Clc1cc(S(=O)(=O)Nc2cc(ccc2)C)ccc1F

InChI:

InChI=1/C13H11ClFNO2S/c1-9-3-2-4-10(7-9)16-19(17,18)11-5-6-13(15)12(14)8-11/h2-8,16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.4319 kcal/mol

Physical Properties
Molecular Weight: 299.753 g/mol	logS: -4.54991	SlogP: 3.58832	Reactive groups: 0

Topological Properties
Globularity: 0.272224	Sterimol/B1: 2.43175	Sterimol/B2: 2.91296	Sterimol/B3: 5.93378
Sterimol/B4: 6.32043	Sterimol/L: 11.6274

Surface and Volume Properties
Accessible surface: 478.123	Positive charged surface: 205.522	Negative charged surface: 272.601	Volume: 245.25
Hydrophobic surface: 398.651	Hydrophilic surface: 79.472

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.