MMsINC Database Search


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MMsINC code: MMs00861850

Type: Neutral
Formula: C₂₀H₁₈N₂O₃S

SMILES:

S(=O)(=O)(Nc1ccccc1)c1cc(ccc1C)C(=O)Nc1ccccc1

InChI:

InChI=1/C20H18N2O3S/c1-15-12-13-16(20(23)21-17-8-4-2-5-9-17)14-19(15)26(24,25)22-18-10-6-3-7-11-18/h2-14,22H,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.1328 kcal/mol

Physical Properties
Molecular Weight: 366.441 g/mol	logS: -5.17718	SlogP: 4.04812	Reactive groups: 0

Topological Properties
Globularity: 0.124431	Sterimol/B1: 2.44401	Sterimol/B2: 3.8368	Sterimol/B3: 4.9751
Sterimol/B4: 8.66991	Sterimol/L: 15.5962

Surface and Volume Properties
Accessible surface: 600.328	Positive charged surface: 316.778	Negative charged surface: 283.551	Volume: 336.5
Hydrophobic surface: 489.848	Hydrophilic surface: 110.48

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: no related molecules available.