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MMsINC code: MMs02827537

Type: Neutral
Formula: C₁₈H₂₄N₂O₅

SMILES:

o1c2c(cc1)c(OC)c(NC=O)c(OCCN1CCCCC1)c2OC

InChI:

InChI=1/C18H24N2O5/c1-22-15-13-6-10-24-16(13)18(23-2)17(14(15)19-12-21)25-11-9-20-7-4-3-5-8-20/h6,10,12H,3-5,7-9,11H2,1-2H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.019 kcal/mol

Physical Properties
Molecular Weight: 348.399 g/mol	logS: -3.73176	SlogP: 2.883	Reactive groups: 0

Topological Properties
Globularity: 0.0803007	Sterimol/B1: 2.5069	Sterimol/B2: 2.8569	Sterimol/B3: 4.58652
Sterimol/B4: 9.46887	Sterimol/L: 15.7031

Surface and Volume Properties
Accessible surface: 585.43	Positive charged surface: 464.853	Negative charged surface: 115.987	Volume: 334.625
Hydrophobic surface: 515.366	Hydrophilic surface: 70.064

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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

MMs02827538
PUBCHEM-ZINC01854355