MMsINC Database Search


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MMsINC code: MMs02769599

Type: Neutral
Formula: C₂₄H₂₀N₂O₃S

SMILES:

S(=O)(=O)(Nc1c2c(ccc1)cccc2)c1ccc(NC(=O)c2ccc(cc2)C)cc1

InChI:

InChI=1/C24H20N2O3S/c1-17-9-11-19(12-10-17)24(27)25-20-13-15-21(16-14-20)30(28,29)26-23-8-4-6-18-5-2-3-7-22(18)23/h2-16,26H,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.04 kcal/mol

Physical Properties
Molecular Weight: 416.501 g/mol	logS: -7.36851	SlogP: 5.20132	Reactive groups: 0

Topological Properties
Globularity: 0.0928559	Sterimol/B1: 3.94061	Sterimol/B2: 4.83415	Sterimol/B3: 5.13347
Sterimol/B4: 7.21365	Sterimol/L: 17.7964

Surface and Volume Properties
Accessible surface: 677.794	Positive charged surface: 349.029	Negative charged surface: 320.449	Volume: 385.625
Hydrophobic surface: 565.646	Hydrophilic surface: 112.148

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.