MMsINC Database Search


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MMsINC code: MMs01310579

Type: Neutral
Formula: C₁₇H₁₅NO₄S

SMILES:

S1(=O)(=O)c2c(ccc(c2)C(=O)NC(C)C)C(=O)c2c1cccc2

InChI:

InChI=1/C17H15NO4S/c1-10(2)18-17(20)11-7-8-13-15(9-11)23(21,22)14-6-4-3-5-12(14)16(13)19/h3-10H,1-2H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.0557 kcal/mol

Physical Properties
Molecular Weight: 329.376 g/mol	logS: -4.57729	SlogP: 2.202	Reactive groups: 0

Topological Properties
Globularity: 0.0309252	Sterimol/B1: 3.37219	Sterimol/B2: 3.65	Sterimol/B3: 4.01093
Sterimol/B4: 5.1777	Sterimol/L: 17.1471

Surface and Volume Properties
Accessible surface: 538.808	Positive charged surface: 274.241	Negative charged surface: 264.568	Volume: 291.125
Hydrophobic surface: 363.796	Hydrophilic surface: 175.012

Pharmacophoric Properties
Hydrogen bond donors: 1	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.