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MMsINC code: MMs01067528

Type: Neutral
Formula: C₁₈H₂₆N₂O₅

SMILES:

O(C)c1c(OC)cc(cc1OC)CCC(=O)NC1CCCCNC1=O

InChI:

InChI=1/C18H26N2O5/c1-23-14-10-12(11-15(24-2)17(14)25-3)7-8-16(21)20-13-6-4-5-9-19-18(13)22/h10-11,13H,4-9H2,1-3H3,(H,19,22)(H,20,21)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.1571 kcal/mol

Physical Properties
Molecular Weight: 350.415 g/mol	logS: -2.55226	SlogP: 1.42987	Reactive groups: 0

Topological Properties
Globularity: 0.0344783	Sterimol/B1: 2.3381	Sterimol/B2: 3.04383	Sterimol/B3: 3.69673
Sterimol/B4: 9.49891	Sterimol/L: 19.1027

Surface and Volume Properties
Accessible surface: 641.991	Positive charged surface: 523.228	Negative charged surface: 118.764	Volume: 340.25
Hydrophobic surface: 519.173	Hydrophilic surface: 122.818

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.