MMsINC Database Search


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MMsINC code: MMs01276623

Type: Neutral
Formula: C₂₃H₁₈N₂O₃S

SMILES:

S(=O)(=O)(Nc1ccccc1)c1ccc(cc1)C(=O)Nc1cc2c(cc1)cccc2

InChI:

InChI=1/C23H18N2O3S/c26-23(24-21-13-10-17-6-4-5-7-19(17)16-21)18-11-14-22(15-12-18)29(27,28)25-20-8-2-1-3-9-20/h1-16,25H,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.4377 kcal/mol

Physical Properties
Molecular Weight: 402.474 g/mol	logS: -6.89459	SlogP: 4.8929	Reactive groups: 0

Topological Properties
Globularity: 0.0470508	Sterimol/B1: 2.56282	Sterimol/B2: 3.6582	Sterimol/B3: 4.15641
Sterimol/B4: 8.23201	Sterimol/L: 18.0371

Surface and Volume Properties
Accessible surface: 655.018	Positive charged surface: 330.04	Negative charged surface: 314.202	Volume: 367.125
Hydrophobic surface: 535.676	Hydrophilic surface: 119.342

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.