MMsINC Database Search


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MMsINC code: MMs02370493

Type: Neutral
Formula: C₁₅H₁₆N₂O₃

SMILES:

OC1CCN(CC1)C(=O)C(=O)c1c2c([nH]c1)cccc2

InChI:

InChI=1/C15H16N2O3/c18-10-5-7-17(8-6-10)15(20)14(19)12-9-16-13-4-2-1-3-11(12)13/h1-4,9-10,16,18H,5-8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.7947 kcal/mol

Physical Properties
Molecular Weight: 272.304 g/mol	logS: -2.39611	SlogP: 1.3339	Reactive groups: 0

Topological Properties
Globularity: 0.132225	Sterimol/B1: 2.91289	Sterimol/B2: 3.53693	Sterimol/B3: 4.57922
Sterimol/B4: 4.96471	Sterimol/L: 14.0792

Surface and Volume Properties
Accessible surface: 479.984	Positive charged surface: 295.03	Negative charged surface: 179.539	Volume: 256.375
Hydrophobic surface: 329.281	Hydrophilic surface: 150.703

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: no related molecules available.