MMsINC Database Search


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MMsINC code: MMs02810441

Type: Neutral
Formula: C₂₆H₂₂N₂O₂

SMILES:

O(CC)c1ccc(cc1)-c1nc2c(cccc2)c(c1)C(=O)N1CCc2c1cccc2

InChI:

InChI=1/C26H22N2O2/c1-2-30-20-13-11-18(12-14-20)24-17-22(21-8-4-5-9-23(21)27-24)26(29)28-16-15-19-7-3-6-10-25(19)28/h3-14,17H,2,15-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=147.281 kcal/mol

Physical Properties
Molecular Weight: 394.474 g/mol	logS: -6.79406	SlogP: 5.50337	Reactive groups: 0

Topological Properties
Globularity: 0.106815	Sterimol/B1: 4.19843	Sterimol/B2: 5.00853	Sterimol/B3: 5.26931
Sterimol/B4: 7.93163	Sterimol/L: 16.4058

Surface and Volume Properties
Accessible surface: 668.076	Positive charged surface: 404.568	Negative charged surface: 258.113	Volume: 389.75
Hydrophobic surface: 593.274	Hydrophilic surface: 74.802

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: 0

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Ions/Tautomers related molecules: no related molecules available.