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MMsINC code: MMs02650746

Type: Neutral
Formula: C₁₄H₁₉NO₄

SMILES:

O1CCN(CC1)CCOC(=O)c1ccccc1OC

InChI:

InChI=1/C14H19NO4/c1-17-13-5-3-2-4-12(13)14(16)19-11-8-15-6-9-18-10-7-15/h2-5H,6-11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.0179 kcal/mol

Physical Properties
Molecular Weight: 265.309 g/mol	logS: -2.00636	SlogP: 1.1842	Reactive groups: 0

Topological Properties
Globularity: 0.0932749	Sterimol/B1: 2.55967	Sterimol/B2: 3.72252	Sterimol/B3: 4.40551
Sterimol/B4: 6.7606	Sterimol/L: 14.3402

Surface and Volume Properties
Accessible surface: 516.16	Positive charged surface: 410.984	Negative charged surface: 105.175	Volume: 257.375
Hydrophobic surface: 469.002	Hydrophilic surface: 47.158

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

MMs02650747
PUBCHEM-ZINC00290356