MMsINC Database Search


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MMsINC code: MMs00061909

Type: Neutral
Formula: C₁₆H₂₃NO₄

SMILES:

O(C)c1c(OC)cc(cc1OC)C(=O)N1CCCCCC1

InChI:

InChI=1/C16H23NO4/c1-19-13-10-12(11-14(20-2)15(13)21-3)16(18)17-8-6-4-5-7-9-17/h10-11H,4-9H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.596 kcal/mol

Physical Properties
Molecular Weight: 293.363 g/mol	logS: -2.53208	SlogP: 2.7286	Reactive groups: 0

Topological Properties
Globularity: 0.152442	Sterimol/B1: 2.19882	Sterimol/B2: 3.69964	Sterimol/B3: 4.36743
Sterimol/B4: 9.4728	Sterimol/L: 13.6481

Surface and Volume Properties
Accessible surface: 533.53	Positive charged surface: 444.388	Negative charged surface: 89.1419	Volume: 287.75
Hydrophobic surface: 486.377	Hydrophilic surface: 47.153

Pharmacophoric Properties
Hydrogen bond donors: 0	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.