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MMsINC code: MMs03035599

Type: Neutral
Formula: C₁₆H₂₄N₂O₄

SMILES:

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

InChI:

InChI=1/C16H24N2O4/c1-4-6-7-10-22-14-9-8-13(11-15(14)20-3)12-17-18-16(19)21-5-2/h8-9,11-12H,4-7,10H2,1-3H3,(H,18,19)/b17-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.6289 kcal/mol

Physical Properties
Molecular Weight: 308.378 g/mol	logS: -3.83446	SlogP: 3.3442	Reactive groups: 0

Topological Properties
Globularity: 0.0125615	Sterimol/B1: 2.3803	Sterimol/B2: 2.38084	Sterimol/B3: 3.43315
Sterimol/B4: 10.1186	Sterimol/L: 18.7432

Surface and Volume Properties
Accessible surface: 644.353	Positive charged surface: 488.442	Negative charged surface: 155.911	Volume: 312.125
Hydrophobic surface: 486.268	Hydrophilic surface: 158.085

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.