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MMsINC code: MMs00162649

Type: Neutral
Formula: C₂₄H₂₄N₂O₃S

SMILES:

s1cccc1C(=O)N1CCC(CC1)C(=O)Nc1ccc(OCc2ccccc2)cc1

InChI:

InChI=1/C24H24N2O3S/c27-23(19-12-14-26(15-13-19)24(28)22-7-4-16-30-22)25-20-8-10-21(11-9-20)29-17-18-5-2-1-3-6-18/h1-11,16,19H,12-15,17H2,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.515 kcal/mol

Physical Properties
Molecular Weight: 420.533 g/mol	logS: -5.35526	SlogP: 5.0844	Reactive groups: 0

Topological Properties
Globularity: 0.0379555	Sterimol/B1: 2.92522	Sterimol/B2: 4.41381	Sterimol/B3: 4.98061
Sterimol/B4: 5.48632	Sterimol/L: 22.1738

Surface and Volume Properties
Accessible surface: 718.596	Positive charged surface: 415.029	Negative charged surface: 303.567	Volume: 401.25
Hydrophobic surface: 642.639	Hydrophilic surface: 75.957

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.