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MMsINC code: MMs00257919

Type: Neutral
Formula: C₂₃H₂₄N₂O₂S

SMILES:

S1\C(=C/c2ccc(OCc3ccccc3)cc2)\C(=O)N=C1N1CCCCCC1

InChI:

InChI=1/C23H24N2O2S/c26-22-21(28-23(24-22)25-14-6-1-2-7-15-25)16-18-10-12-20(13-11-18)27-17-19-8-4-3-5-9-19/h3-5,8-13,16H,1-2,6-7,14-15,17H2/b21-16-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.067 kcal/mol

Physical Properties
Molecular Weight: 392.523 g/mol	logS: -5.85364	SlogP: 5.3783	Reactive groups: 0

Topological Properties
Globularity: 0.0334693	Sterimol/B1: 2.96616	Sterimol/B2: 3.27644	Sterimol/B3: 3.6144
Sterimol/B4: 7.89624	Sterimol/L: 20.2983

Surface and Volume Properties
Accessible surface: 684.99	Positive charged surface: 434.152	Negative charged surface: 250.838	Volume: 382
Hydrophobic surface: 580.004	Hydrophilic surface: 104.986

Pharmacophoric Properties
Hydrogen bond donors: 0	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.