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MMsINC code: MMs00536164

Type: Neutral
Formula: C₁₇H₂₆N₂O₄

SMILES:

O(CCCCCC)c1ccc(cc1OC)\C=N\NC(OCC)=O

InChI:

InChI=1/C17H26N2O4/c1-4-6-7-8-11-23-15-10-9-14(12-16(15)21-3)13-18-19-17(20)22-5-2/h9-10,12-13H,4-8,11H2,1-3H3,(H,19,20)/b18-13+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.6758 kcal/mol

Physical Properties
Molecular Weight: 322.405 g/mol	logS: -4.34968	SlogP: 3.7343	Reactive groups: 0

Topological Properties
Globularity: 0.0114496	Sterimol/B1: 2.37975	Sterimol/B2: 2.38159	Sterimol/B3: 4.62235
Sterimol/B4: 9.48216	Sterimol/L: 19.8209

Surface and Volume Properties
Accessible surface: 676.191	Positive charged surface: 518.991	Negative charged surface: 157.2	Volume: 328.625
Hydrophobic surface: 515.882	Hydrophilic surface: 160.309

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.