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MMsINC code: MMs00795648

Type: Neutral
Formula: C₂₆H₂₈N₂O₂

SMILES:

O(CCN1CCN(CC1)Cc1ccccc1)c1ccc(cc1)C(=O)c1ccccc1

InChI:

InChI=1/C26H28N2O2/c29-26(23-9-5-2-6-10-23)24-11-13-25(14-12-24)30-20-19-27-15-17-28(18-16-27)21-22-7-3-1-4-8-22/h1-14H,15-21H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.852 kcal/mol

Physical Properties
Molecular Weight: 400.522 g/mol	logS: -5.22059	SlogP: 4.3806	Reactive groups: 0

Topological Properties
Globularity: 0.0393255	Sterimol/B1: 3.15812	Sterimol/B2: 3.84463	Sterimol/B3: 4.65332
Sterimol/B4: 6.51304	Sterimol/L: 22.5741

Surface and Volume Properties
Accessible surface: 731.146	Positive charged surface: 481.833	Negative charged surface: 249.314	Volume: 414
Hydrophobic surface: 684.52	Hydrophilic surface: 46.626

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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

MMs00795649
CHEMBRIDGE-ZINC04833487