MMsINC Database Search


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MMsINC code: MMs00893449

Type: Neutral
Formula: C₂₄H₂₆N₂O₂

SMILES:

O=C(C)c1cc(n(CC(=O)Nc2ccc(cc2)C(C)C)c1C)-c1ccccc1

InChI:

InChI=1/C24H26N2O2/c1-16(2)19-10-12-21(13-11-19)25-24(28)15-26-17(3)22(18(4)27)14-23(26)20-8-6-5-7-9-20/h5-14,16H,15H2,1-4H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.719 kcal/mol

Physical Properties
Molecular Weight: 374.484 g/mol	logS: -6.24374	SlogP: 5.69462	Reactive groups: 0

Topological Properties
Globularity: 0.111707	Sterimol/B1: 2.63258	Sterimol/B2: 2.86209	Sterimol/B3: 5.7356
Sterimol/B4: 9.96926	Sterimol/L: 17.168

Surface and Volume Properties
Accessible surface: 666.353	Positive charged surface: 402.892	Negative charged surface: 263.461	Volume: 385.625
Hydrophobic surface: 556.878	Hydrophilic surface: 109.475

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.