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MMsINC code: MMs00671859

Type: Neutral
Formula: C₂₄H₂₄N₂O₂S

SMILES:

S(Cc1ccccc1)CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1

InChI:

InChI=1/C24H24N2O2S/c27-23(18-29-17-20-11-5-2-6-12-20)26-22-14-8-7-13-21(22)24(28)25-16-15-19-9-3-1-4-10-19/h1-14H,15-18H2,(H,25,28)(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.313 kcal/mol

Physical Properties
Molecular Weight: 404.534 g/mol	logS: -6.32225	SlogP: 4.79737	Reactive groups: 0

Topological Properties
Globularity: 0.0336623	Sterimol/B1: 2.41463	Sterimol/B2: 3.43926	Sterimol/B3: 3.92883
Sterimol/B4: 10.9024	Sterimol/L: 21.4584

Surface and Volume Properties
Accessible surface: 746.384	Positive charged surface: 439.354	Negative charged surface: 307.03	Volume: 400.625
Hydrophobic surface: 644.682	Hydrophilic surface: 101.702

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.