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MMsINC code: MMs00913830

Type: Neutral
Formula: C₂₄H₂₆N₂O₂

SMILES:

O=C(C1CCCCC1)c1c2c(n(c1)CC(=O)Nc1ccc(cc1)C)cccc2

InChI:

InChI=1/C24H26N2O2/c1-17-11-13-19(14-12-17)25-23(27)16-26-15-21(20-9-5-6-10-22(20)26)24(28)18-7-3-2-4-8-18/h5-6,9-15,18H,2-4,7-8,16H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.9376 kcal/mol

Physical Properties
Molecular Weight: 374.484 g/mol	logS: -6.19857	SlogP: 5.61782	Reactive groups: 0

Topological Properties
Globularity: 0.0806623	Sterimol/B1: 2.47957	Sterimol/B2: 3.07828	Sterimol/B3: 5.53278
Sterimol/B4: 9.63707	Sterimol/L: 17.938

Surface and Volume Properties
Accessible surface: 676.775	Positive charged surface: 431.641	Negative charged surface: 240.58	Volume: 382.375
Hydrophobic surface: 613.668	Hydrophilic surface: 63.107

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

MMs00913831
CHEMDIV-ZINC03648852