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CHEMBRIDGE-ZINC05027780

MMsINC code: MMs00828789

Type: Neutral
Formula: C₂₄H₃₂N₂O₃

SMILES:

O(CC(=O)Nc1ccccc1OC)c1ccccc1CNC1CCCCCCC1

InChI:

InChI=1/C24H32N2O3/c1-28-23-16-10-8-14-21(23)26-24(27)18-29-22-15-9-7-11-19(22)17-25-20-12-5-3-2-4-6-13-20/h7-11,14-16,20,25H,2-6,12-13,17-18H2,1H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=159.934 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 396.531 g/mol	logS: -5.72415	SlogP: 5.1816	Reactive groups: 0

Topological Properties
Globularity: 0.064154	Sterimol/B1: 2.28463	Sterimol/B2: 5.03045	Sterimol/B3: 5.34292
Sterimol/B4: 8.1921	Sterimol/L: 17.6587

Surface and Volume Properties
Accessible surface: 713.531	Positive charged surface: 516.301	Negative charged surface: 197.229	Volume: 405.125
Hydrophobic surface: 660.959	Hydrophilic surface: 52.572

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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

MMs00828790
CHEMBRIDGE-ZINC05027780