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MMsINC code: MMs00973621

Type: Neutral
Formula: C₁₄H₁₆N₂O₂

SMILES:

O1CCN(CC1)CC(=O)c1cc2[nH]ccc2cc1

InChI:

InChI=1/C14H16N2O2/c17-14(10-16-5-7-18-8-6-16)12-2-1-11-3-4-15-13(11)9-12/h1-4,9,15H,5-8,10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.0198 kcal/mol

Physical Properties
Molecular Weight: 244.294 g/mol	logS: -2.16906	SlogP: 1.6828	Reactive groups: 0

Topological Properties
Globularity: 0.0311839	Sterimol/B1: 2.49762	Sterimol/B2: 2.90748	Sterimol/B3: 3.37032
Sterimol/B4: 5.28434	Sterimol/L: 15.5298

Surface and Volume Properties
Accessible surface: 467.941	Positive charged surface: 324.123	Negative charged surface: 137.707	Volume: 238.125
Hydrophobic surface: 374.85	Hydrophilic surface: 93.091

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs00973622
CHEMDIV-ZINC04959033