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MMsINC code: MMs01270680

Type: Neutral
Formula: C₂₂H₂₆N₂O₅

SMILES:

O(C)c1cc(cc(OC)c1)C(OCC(=O)Nc1ccc(N2CCCCC2)cc1)=O

InChI:

InChI=1/C22H26N2O5/c1-27-19-12-16(13-20(14-19)28-2)22(26)29-15-21(25)23-17-6-8-18(9-7-17)24-10-4-3-5-11-24/h6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=155.45 kcal/mol

Physical Properties
Molecular Weight: 398.459 g/mol	logS: -4.54536	SlogP: 3.4896	Reactive groups: 0

Topological Properties
Globularity: 0.0162165	Sterimol/B1: 3.28093	Sterimol/B2: 3.32243	Sterimol/B3: 4.55494
Sterimol/B4: 6.1594	Sterimol/L: 23.145

Surface and Volume Properties
Accessible surface: 712.686	Positive charged surface: 528.52	Negative charged surface: 184.166	Volume: 381.5
Hydrophobic surface: 594.55	Hydrophilic surface: 118.136

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.