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MMsINC code: MMs00716373

Type: Neutral
Formula: C₂₀H₂₅NO₄

SMILES:

O(C)c1c(OC)cc(cc1OC)C(=O)NCCCCc1ccccc1

InChI:

InChI=1/C20H25NO4/c1-23-17-13-16(14-18(24-2)19(17)25-3)20(22)21-12-8-7-11-15-9-5-4-6-10-15/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.7734 kcal/mol

Physical Properties
Molecular Weight: 343.423 g/mol	logS: -4.22851	SlogP: 3.46507	Reactive groups: 0

Topological Properties
Globularity: 0.0299937	Sterimol/B1: 2.05061	Sterimol/B2: 3.42303	Sterimol/B3: 3.92952
Sterimol/B4: 9.20541	Sterimol/L: 20.6729

Surface and Volume Properties
Accessible surface: 671.595	Positive charged surface: 507.157	Negative charged surface: 164.438	Volume: 348.75
Hydrophobic surface: 609.061	Hydrophilic surface: 62.534

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.