MMsINC Database Search


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MMsINC code: MMs02966223

Type: Neutral
Formula: C₂₄H₁₉NO₄S

SMILES:

S(=O)(=O)(Nc1c2c(cccc2)c(OC(=O)c2ccc(cc2)C)cc1)c1ccccc1

InChI:

InChI=1/C24H19NO4S/c1-17-11-13-18(14-12-17)24(26)29-23-16-15-22(20-9-5-6-10-21(20)23)25-30(27,28)19-7-3-2-4-8-19/h2-16,25H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.531 kcal/mol

Physical Properties
Molecular Weight: 417.485 g/mol	logS: -7.51258	SlogP: 5.16822	Reactive groups: 0

Topological Properties
Globularity: 0.107838	Sterimol/B1: 3.98025	Sterimol/B2: 4.56769	Sterimol/B3: 4.73038
Sterimol/B4: 6.4687	Sterimol/L: 17.7916

Surface and Volume Properties
Accessible surface: 660.122	Positive charged surface: 336.559	Negative charged surface: 316.867	Volume: 382
Hydrophobic surface: 565.143	Hydrophilic surface: 94.979

Pharmacophoric Properties
Hydrogen bond donors: 1	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.