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MMsINC code: MMs01421425

Type: Neutral
Formula: C₂₃H₂₄N₂O₃S

SMILES:

S(=O)(=O)(NC)c1cc(ccc1)C(=O)NCCC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H24N2O3S/c1-24-29(27,28)21-14-8-13-20(17-21)23(26)25-16-15-22(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,17,22,24H,15-16H2,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.6293 kcal/mol

Physical Properties
Molecular Weight: 408.522 g/mol	logS: -5.04259	SlogP: 3.5467	Reactive groups: 0

Topological Properties
Globularity: 0.0664069	Sterimol/B1: 3.71632	Sterimol/B2: 4.36962	Sterimol/B3: 4.38021
Sterimol/B4: 6.9446	Sterimol/L: 18.5921

Surface and Volume Properties
Accessible surface: 701.532	Positive charged surface: 406.722	Negative charged surface: 294.811	Volume: 388.375
Hydrophobic surface: 567.79	Hydrophilic surface: 133.742

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.