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MMsINC code: MMs00382057

Type: Neutral
Formula: C₂₄H₂₄N₂O

SMILES:

O=C(Nc1cc(ccc1)C)c1ccc(cc1)CN1CCc2c(C1)cccc2

InChI:

InChI=1/C24H24N2O/c1-18-5-4-8-23(15-18)25-24(27)21-11-9-19(10-12-21)16-26-14-13-20-6-2-3-7-22(20)17-26/h2-12,15H,13-14,16-17H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.061 kcal/mol

Physical Properties
Molecular Weight: 356.469 g/mol	logS: -5.65201	SlogP: 5.33839	Reactive groups: 0

Topological Properties
Globularity: 0.0375204	Sterimol/B1: 3.44864	Sterimol/B2: 3.45662	Sterimol/B3: 3.4812
Sterimol/B4: 7.18709	Sterimol/L: 18.8073

Surface and Volume Properties
Accessible surface: 651.72	Positive charged surface: 405.458	Negative charged surface: 246.262	Volume: 367.75
Hydrophobic surface: 607.22	Hydrophilic surface: 44.5

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

MMs00382058
ASINEX-ZINC04851621