MMsINC Database Search


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MMsINC code: MMs01647794

Type: Neutral
Formula: C₂₀H₁₈N₂O₃S

SMILES:

S(=O)(=O)(N)c1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1

InChI:

InChI=1/C20H18N2O3S/c21-26(24,25)18-13-7-12-17(14-18)22-20(23)19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,19H,(H,22,23)(H2,21,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.3462 kcal/mol

Physical Properties
Molecular Weight: 366.441 g/mol	logS: -5.28541	SlogP: 3.1046	Reactive groups: 0

Topological Properties
Globularity: 0.102901	Sterimol/B1: 2.83826	Sterimol/B2: 3.47048	Sterimol/B3: 4.3516
Sterimol/B4: 8.83172	Sterimol/L: 15.9098

Surface and Volume Properties
Accessible surface: 611.782	Positive charged surface: 323.989	Negative charged surface: 287.793	Volume: 334.25
Hydrophobic surface: 456.511	Hydrophilic surface: 155.271

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs01647795
ENAMINE-ZINC05938729