MMsINC Database Search


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MMsINC code: MMs02182892

Type: Neutral
Formula: C₁₄H₁₀N₂O₄

SMILES:

O1c2c(-c3nc(N)c(cc3C1=O)C(OC)=O)cccc2

InChI:

InChI=1/C14H10N2O4/c1-19-13(17)9-6-8-11(16-12(9)15)7-4-2-3-5-10(7)20-14(8)18/h2-6H,1H3,(H2,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.8748 kcal/mol

Physical Properties
Molecular Weight: 270.244 g/mol	logS: -3.81609	SlogP: 1.65	Reactive groups: 0

Topological Properties
Globularity: 0.00718421	Sterimol/B1: 2.34443	Sterimol/B2: 2.40315	Sterimol/B3: 4.24788
Sterimol/B4: 5.48275	Sterimol/L: 15.1465

Surface and Volume Properties
Accessible surface: 468.703	Positive charged surface: 295.259	Negative charged surface: 167.493	Volume: 233.5
Hydrophobic surface: 297.474	Hydrophilic surface: 171.229

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.