MMsINC Database Search


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MMsINC code: MMs00282515

Type: Neutral
Formula: C₁₉H₁₄N₂O₆

SMILES:

O(Cc1ccc(cc1)C(O)=O)c1ccccc1C=C1C(=O)NC(=O)NC1=O

InChI:

InChI=1/C19H14N2O6/c22-16-14(17(23)21-19(26)20-16)9-13-3-1-2-4-15(13)27-10-11-5-7-12(8-6-11)18(24)25/h1-9H,10H2,(H,24,25)(H2,20,21,22,23,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.2522 kcal/mol

Physical Properties
Molecular Weight: 366.329 g/mol	logS: -4.59878	SlogP: 1.9796	Reactive groups: 0

Topological Properties
Globularity: 0.0781693	Sterimol/B1: 3.16388	Sterimol/B2: 3.59271	Sterimol/B3: 3.78596
Sterimol/B4: 8.73085	Sterimol/L: 15.7582

Surface and Volume Properties
Accessible surface: 600.436	Positive charged surface: 337.773	Negative charged surface: 262.663	Volume: 316.625
Hydrophobic surface: 315.931	Hydrophilic surface: 284.505

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	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

MMs00282516
ASINEX-ZINC02973044