MMsINC Database Search


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MMsINC code: MMs02913109

Type: Neutral
Formula: C₂₆H₂₄N₂O

SMILES:

O=C(Nc1ccccc1C(C)C)c1c2c(nc(-c3ccccc3)c1C)cccc2

InChI:

InChI=1/C26H24N2O/c1-17(2)20-13-7-9-15-22(20)28-26(29)24-18(3)25(19-11-5-4-6-12-19)27-23-16-10-8-14-21(23)24/h4-17H,1-3H3,(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.67 kcal/mol

Physical Properties
Molecular Weight: 380.491 g/mol	logS: -7.68997	SlogP: 6.58592	Reactive groups: 0

Topological Properties
Globularity: 0.11841	Sterimol/B1: 2.96489	Sterimol/B2: 3.96692	Sterimol/B3: 5.45628
Sterimol/B4: 9.01083	Sterimol/L: 16.6223

Surface and Volume Properties
Accessible surface: 652.602	Positive charged surface: 367.874	Negative charged surface: 277.806	Volume: 389.875
Hydrophobic surface: 571.613	Hydrophilic surface: 80.989

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.