MMsINC Database Search


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MMsINC code: MMs00262281

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

O(CCCC)c1ccc(NC(=O)c2cc(nc3c2cccc3)-c2ccccc2)cc1

InChI:

InChI=1/C26H24N2O2/c1-2-3-17-30-21-15-13-20(14-16-21)27-26(29)23-18-25(19-9-5-4-6-10-19)28-24-12-8-7-11-22(23)24/h4-16,18H,2-3,17H2,1H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.073 kcal/mol

Physical Properties
Molecular Weight: 396.49 g/mol	logS: -7.43317	SlogP: 6.333	Reactive groups: 0

Topological Properties
Globularity: 0.0157761	Sterimol/B1: 2.7129	Sterimol/B2: 4.01264	Sterimol/B3: 6.10088
Sterimol/B4: 7.09558	Sterimol/L: 22.0067

Surface and Volume Properties
Accessible surface: 718.287	Positive charged surface: 426.937	Negative charged surface: 280.546	Volume: 398.5
Hydrophobic surface: 640.192	Hydrophilic surface: 78.095

Pharmacophoric Properties
Hydrogen bond donors: 1	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.