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MMsINC code: MMs00572196

Type: Neutral
Formula: C₂₃H₂₃NOS

SMILES:

S(C(CC(=O)c1ccccc1)c1ccc(N(C)C)cc1)c1ccccc1

InChI:

InChI=1/C23H23NOS/c1-24(2)20-15-13-19(14-16-20)23(26-21-11-7-4-8-12-21)17-22(25)18-9-5-3-6-10-18/h3-16,23H,17H2,1-2H3/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.426 kcal/mol

Physical Properties
Molecular Weight: 361.509 g/mol	logS: -6.08276	SlogP: 5.9545	Reactive groups: 0

Topological Properties
Globularity: 0.0912383	Sterimol/B1: 2.54038	Sterimol/B2: 2.90587	Sterimol/B3: 5.05403
Sterimol/B4: 9.70761	Sterimol/L: 16.6804

Surface and Volume Properties
Accessible surface: 648.079	Positive charged surface: 407.862	Negative charged surface: 240.217	Volume: 368.625
Hydrophobic surface: 605.533	Hydrophilic surface: 42.546

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.