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MMsINC code: MMs02028738

Type: Neutral
Formula: C₂₄H₃₄N₂O₃

SMILES:

O(CCOCC(O)CN1CCN(CC1)Cc1ccccc1)c1c(cccc1C)C

InChI:

InChI=1/C24H34N2O3/c1-20-7-6-8-21(2)24(20)29-16-15-28-19-23(27)18-26-13-11-25(12-14-26)17-22-9-4-3-5-10-22/h3-10,23,27H,11-19H2,1-2H3/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.777 kcal/mol

Physical Properties
Molecular Weight: 398.547 g/mol	logS: -3.40882	SlogP: 3.14394	Reactive groups: 0

Topological Properties
Globularity: 0.0417725	Sterimol/B1: 2.60654	Sterimol/B2: 2.83013	Sterimol/B3: 5.54125
Sterimol/B4: 6.48135	Sterimol/L: 22.8157

Surface and Volume Properties
Accessible surface: 754.151	Positive charged surface: 550.151	Negative charged surface: 204	Volume: 419.125
Hydrophobic surface: 701.412	Hydrophilic surface: 52.739

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02028739
IFLAB-ZINC04247909