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MMsINC code: MMs00994212

Type: Neutral
Formula: C₂₃H₂₆N₂O₄

SMILES:

o1c2c(c(C(=O)Nc3ccc(cc3C)C)c1C)c(CN1CCOCC1)c(O)cc2

InChI:

InChI=1/C23H26N2O4/c1-14-4-5-18(15(2)12-14)24-23(27)21-16(3)29-20-7-6-19(26)17(22(20)21)13-25-8-10-28-11-9-25/h4-7,12,26H,8-11,13H2,1-3H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.739 kcal/mol

Physical Properties
Molecular Weight: 394.471 g/mol	logS: -5.54896	SlogP: 4.41456	Reactive groups: 0

Topological Properties
Globularity: 0.20169	Sterimol/B1: 3.9454	Sterimol/B2: 4.9388	Sterimol/B3: 5.09889
Sterimol/B4: 7.27591	Sterimol/L: 15.5133

Surface and Volume Properties
Accessible surface: 639.54	Positive charged surface: 423.934	Negative charged surface: 211.669	Volume: 383.25
Hydrophobic surface: 565.109	Hydrophilic surface: 74.431

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00994213
CHEMDIV-ZINC05182649