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MMsINC code: MMs00094037

Type: Neutral
Formula: C₁₅H₁₆N₂O₄

SMILES:

O1CCCC1CNC(=O)C=1C(=O)Nc2c(cccc2)C=1O

InChI:

InChI=1/C15H16N2O4/c18-13-10-5-1-2-6-11(10)17-15(20)12(13)14(19)16-8-9-4-3-7-21-9/h1-2,5-6,9H,3-4,7-8H2,(H,16,19)(H2,17,18,20)/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.5887 kcal/mol

Physical Properties
Molecular Weight: 288.303 g/mol	logS: -2.76645	SlogP: 1.203	Reactive groups: 0

Topological Properties
Globularity: 0.0682109	Sterimol/B1: 2.65714	Sterimol/B2: 3.2749	Sterimol/B3: 5.0203
Sterimol/B4: 5.97961	Sterimol/L: 16.3477

Surface and Volume Properties
Accessible surface: 522.035	Positive charged surface: 342.444	Negative charged surface: 179.591	Volume: 263.5
Hydrophobic surface: 372.793	Hydrophilic surface: 149.242

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.