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MMsINC code: MMs00818204

Type: Neutral
Formula: C₂₆H₃₀N₂O₂

SMILES:

O(CC)c1ccccc1N1CCN(CC1)Cc1ccc(OCc2ccccc2)cc1

InChI:

InChI=1/C26H30N2O2/c1-2-29-26-11-7-6-10-25(26)28-18-16-27(17-19-28)20-22-12-14-24(15-13-22)30-21-23-8-4-3-5-9-23/h3-15H,2,16-21H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=181.118 kcal/mol

Physical Properties
Molecular Weight: 402.538 g/mol	logS: -5.32279	SlogP: 5.5193	Reactive groups: 0

Topological Properties
Globularity: 0.0655361	Sterimol/B1: 2.19213	Sterimol/B2: 3.04878	Sterimol/B3: 6.61277
Sterimol/B4: 7.20834	Sterimol/L: 21.5761

Surface and Volume Properties
Accessible surface: 756.664	Positive charged surface: 514.719	Negative charged surface: 241.945	Volume: 419.5
Hydrophobic surface: 702.751	Hydrophilic surface: 53.913

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00818205
CHEMBRIDGE-ZINC04980882