MMsINC Database Search


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MMsINC code: MMs00240330

Type: Neutral
Formula: C₂₀H₂₄N₂O₂S

SMILES:

s1c(ccc1C)C(=O)N(CC(=O)NC1CCCC1)c1ccc(cc1)C

InChI:

InChI=1/C20H24N2O2S/c1-14-7-10-17(11-8-14)22(20(24)18-12-9-15(2)25-18)13-19(23)21-16-5-3-4-6-16/h7-12,16H,3-6,13H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.656 kcal/mol

Physical Properties
Molecular Weight: 356.49 g/mol	logS: -4.97135	SlogP: 4.07054	Reactive groups: 0

Topological Properties
Globularity: 0.09101	Sterimol/B1: 3.46459	Sterimol/B2: 3.96907	Sterimol/B3: 5.13867
Sterimol/B4: 8.1176	Sterimol/L: 15.4508

Surface and Volume Properties
Accessible surface: 622.417	Positive charged surface: 397.249	Negative charged surface: 225.168	Volume: 351.625
Hydrophobic surface: 566.472	Hydrophilic surface: 55.945

Pharmacophoric Properties
Hydrogen bond donors: 1	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.