MMsINC Database Search


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MMsINC code: MMs00677004

Type: Neutral
Formula: C₂₀H₁₄N₂O₄

SMILES:

O=C1N(COC(=O)c2cc(nc3c2cccc3)C)C(=O)c2c1cccc2

InChI:

InChI=1/C20H14N2O4/c1-12-10-16(13-6-4-5-9-17(13)21-12)20(25)26-11-22-18(23)14-7-2-3-8-15(14)19(22)24/h2-10H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.675 kcal/mol

Physical Properties
Molecular Weight: 346.342 g/mol	logS: -4.71823	SlogP: 2.95372	Reactive groups: 0

Topological Properties
Globularity: 0.106133	Sterimol/B1: 2.3194	Sterimol/B2: 2.49741	Sterimol/B3: 5.71917
Sterimol/B4: 8.41782	Sterimol/L: 15.2942

Surface and Volume Properties
Accessible surface: 577.894	Positive charged surface: 330.974	Negative charged surface: 241.878	Volume: 312.75
Hydrophobic surface: 462.001	Hydrophilic surface: 115.893

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.