MMsINC Database Search


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MMsINC code: MMs00260684

Type: Neutral
Formula: C₁₅H₁₁NO₄S

SMILES:

S(=O)(=O)(N1c2c(cccc2)C(=O)C1=O)c1ccc(cc1)C

InChI:

InChI=1/C15H11NO4S/c1-10-6-8-11(9-7-10)21(19,20)16-13-5-3-2-4-12(13)14(17)15(16)18/h2-9H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.7374 kcal/mol

Physical Properties
Molecular Weight: 301.322 g/mol	logS: -4.4556	SlogP: 1.91322	Reactive groups: 0

Topological Properties
Globularity: 0.130105	Sterimol/B1: 2.50739	Sterimol/B2: 3.57218	Sterimol/B3: 5.53171
Sterimol/B4: 5.99474	Sterimol/L: 13.5354

Surface and Volume Properties
Accessible surface: 481.993	Positive charged surface: 221.001	Negative charged surface: 260.992	Volume: 255.875
Hydrophobic surface: 343.128	Hydrophilic surface: 138.865

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.