MMsINC Database Search


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MMsINC code: MMs00145890

Type: Neutral
Formula: C₂₃H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N(CC(=O)Nc1ccc(cc1)C)c1cc(OC)ccc1)c1ccc(cc1)C

InChI:

InChI=1/C23H24N2O4S/c1-17-7-11-19(12-8-17)24-23(26)16-25(20-5-4-6-21(15-20)29-3)30(27,28)22-13-9-18(2)10-14-22/h4-15H,16H2,1-3H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.394 kcal/mol

Physical Properties
Molecular Weight: 424.521 g/mol	logS: -6.11695	SlogP: 4.14604	Reactive groups: 0

Topological Properties
Globularity: 0.290633	Sterimol/B1: 3.31156	Sterimol/B2: 3.46375	Sterimol/B3: 7.75083
Sterimol/B4: 8.50442	Sterimol/L: 15.7179

Surface and Volume Properties
Accessible surface: 691.894	Positive charged surface: 429.531	Negative charged surface: 262.363	Volume: 401
Hydrophobic surface: 599.719	Hydrophilic surface: 92.175

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.