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MMsINC code: MMs00644447

Type: Neutral
Formula: C₂₆H₂₈N₂O₂

SMILES:

O(CC)c1ccccc1C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C26H28N2O2/c1-2-30-24-16-10-9-15-23(24)26(29)28-19-17-27(18-20-28)25(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-16,25H,2,17-20H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.338 kcal/mol

Physical Properties
Molecular Weight: 400.522 g/mol	logS: -5.38514	SlogP: 4.7282	Reactive groups: 0

Topological Properties
Globularity: 0.141106	Sterimol/B1: 2.30813	Sterimol/B2: 3.006	Sterimol/B3: 5.90739
Sterimol/B4: 8.92969	Sterimol/L: 15.7182

Surface and Volume Properties
Accessible surface: 700.648	Positive charged surface: 456.667	Negative charged surface: 243.981	Volume: 412.875
Hydrophobic surface: 647.227	Hydrophilic surface: 53.421

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

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Ions/Tautomers related molecules

MMs00644448
CHEMBRIDGE-ZINC00766503