MMsINC Database Search


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MMsINC code: MMs01243662

Type: Neutral
Formula: C₁₅H₁₅NO₄S

SMILES:

S(=O)(=O)(NC(=O)c1ccc(OC)cc1)c1ccc(cc1)C

InChI:

InChI=1/C15H15NO4S/c1-11-3-9-14(10-4-11)21(18,19)16-15(17)12-5-7-13(20-2)8-6-12/h3-10H,1-2H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.4594 kcal/mol

Physical Properties
Molecular Weight: 305.354 g/mol	logS: -4.10226	SlogP: 2.12232	Reactive groups: 0

Topological Properties
Globularity: 0.100353	Sterimol/B1: 2.41865	Sterimol/B2: 2.92162	Sterimol/B3: 4.99295
Sterimol/B4: 7.10137	Sterimol/L: 16.7654

Surface and Volume Properties
Accessible surface: 529.436	Positive charged surface: 295.868	Negative charged surface: 233.568	Volume: 274.5
Hydrophobic surface: 423.596	Hydrophilic surface: 105.84

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.