MMsINC Database Search


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MMsINC code: MMs00260651

Type: Neutral
Formula: C₁₉H₁₄N₂O₄

SMILES:

O=C1c2c(N(CCCN3c4c(cccc4)C(=O)C3=O)C1=O)cccc2

InChI:

InChI=1/C19H14N2O4/c22-16-12-6-1-3-8-14(12)20(18(16)24)10-5-11-21-15-9-4-2-7-13(15)17(23)19(21)25/h1-4,6-9H,5,10-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.1291 kcal/mol

Physical Properties
Molecular Weight: 334.331 g/mol	logS: -4.48069	SlogP: 1.8355	Reactive groups: 0

Topological Properties
Globularity: 0.081364	Sterimol/B1: 2.30895	Sterimol/B2: 3.98679	Sterimol/B3: 4.55629
Sterimol/B4: 6.01563	Sterimol/L: 15.8101

Surface and Volume Properties
Accessible surface: 560.601	Positive charged surface: 288.712	Negative charged surface: 271.89	Volume: 302.75
Hydrophobic surface: 380.169	Hydrophilic surface: 180.432

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.