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MMsINC code: MMs03277665

Type: Neutral
Formula: C₁₄H₁₉NO₃

SMILES:

OC(=O)c1ccc(N(C(=O)CC)CCCC)cc1

InChI:

InChI=1/C14H19NO3/c1-3-5-10-15(13(16)4-2)12-8-6-11(7-9-12)14(17)18/h6-9H,3-5,10H2,1-2H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.191 kcal/mol

Physical Properties
Molecular Weight: 249.31 g/mol	logS: -2.70371	SlogP: 2.9279	Reactive groups: 0

Topological Properties
Globularity: 0.128105	Sterimol/B1: 2.24499	Sterimol/B2: 3.17583	Sterimol/B3: 4.39098
Sterimol/B4: 8.88715	Sterimol/L: 13.6399

Surface and Volume Properties
Accessible surface: 505.991	Positive charged surface: 329.033	Negative charged surface: 176.958	Volume: 254.375
Hydrophobic surface: 338.239	Hydrophilic surface: 167.752

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs03277666
PUBCHEM-ZINC05465628