MMsINC Database Search


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MMsINC code: MMs03710448

Type: Neutral
Formula: C₁₅H₁₄N₂O₄S

SMILES:

S1(=O)(=O)NC(=O)CN1c1cc(ccc1OC)-c1ccccc1

InChI:

InChI=1/C15H14N2O4S/c1-21-14-8-7-12(11-5-3-2-4-6-11)9-13(14)17-10-15(18)16-22(17,19)20/h2-9H,10H2,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.8891 kcal/mol

Physical Properties
Molecular Weight: 318.353 g/mol	logS: -4.20853	SlogP: 1.5432	Reactive groups: 0

Topological Properties
Globularity: 0.0581518	Sterimol/B1: 1.969	Sterimol/B2: 3.27888	Sterimol/B3: 3.93664
Sterimol/B4: 8.07822	Sterimol/L: 14.1172

Surface and Volume Properties
Accessible surface: 523.316	Positive charged surface: 286.314	Negative charged surface: 225.911	Volume: 273.375
Hydrophobic surface: 364.389	Hydrophilic surface: 158.927

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.