MMsINC Database Search


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MMsINC code: MMs03258103

Type: Neutral
Formula: C₂₀H₁₆N₂O₄

SMILES:

O=C1N(CCOC(=O)Cc2c3c([nH]c2)cccc3)C(=O)c2c1cccc2

InChI:

InChI=1/C20H16N2O4/c23-18(11-13-12-21-17-8-4-3-5-14(13)17)26-10-9-22-19(24)15-6-1-2-7-16(15)20(22)25/h1-8,12,21H,9-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.3822 kcal/mol

Physical Properties
Molecular Weight: 348.358 g/mol	logS: -4.46217	SlogP: 2.54977	Reactive groups: 1

Topological Properties
Globularity: 0.0929654	Sterimol/B1: 2.40777	Sterimol/B2: 3.53401	Sterimol/B3: 4.93712
Sterimol/B4: 7.61144	Sterimol/L: 15.9804

Surface and Volume Properties
Accessible surface: 608.966	Positive charged surface: 356.007	Negative charged surface: 249.349	Volume: 321
Hydrophobic surface: 466.807	Hydrophilic surface: 142.159

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: no related molecules available.