MMsINC Database Search


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MMsINC code: MMs00699625

Type: Neutral
Formula: C₂₄H₂₀N₂O₂S₂

SMILES:

s1cccc1C(=O)N(CCN(C(=O)c1sccc1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H20N2O2S2/c27-23(21-13-7-17-29-21)25(19-9-3-1-4-10-19)15-16-26(20-11-5-2-6-12-20)24(28)22-14-8-18-30-22/h1-14,17-18H,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=192.351 kcal/mol

Physical Properties
Molecular Weight: 432.568 g/mol	logS: -6.52056	SlogP: 5.8034	Reactive groups: 0

Topological Properties
Globularity: 0.0648997	Sterimol/B1: 2.44355	Sterimol/B2: 3.56115	Sterimol/B3: 3.88878
Sterimol/B4: 8.37124	Sterimol/L: 17.5835

Surface and Volume Properties
Accessible surface: 664.389	Positive charged surface: 361.31	Negative charged surface: 303.079	Volume: 398.625
Hydrophobic surface: 612.328	Hydrophilic surface: 52.061

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.