MMsINC Database Search


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MMsINC code: MMs00268020

Type: Neutral
Formula: C₁₉H₁₆N₂O₄

SMILES:

o1nc2c3c(C(=O)c4c(-c13)cccc4)c(NCCOC(=O)CC)cc2

InChI:

InChI=1/C19H16N2O4/c1-2-15(22)24-10-9-20-13-7-8-14-17-16(13)18(23)11-5-3-4-6-12(11)19(17)25-21-14/h3-8,20H,2,9-10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.141 kcal/mol

Physical Properties
Molecular Weight: 336.347 g/mol	logS: -5.11416	SlogP: 3.4043	Reactive groups: 1

Topological Properties
Globularity: 0.0348205	Sterimol/B1: 2.88377	Sterimol/B2: 3.86965	Sterimol/B3: 3.89164
Sterimol/B4: 8.25744	Sterimol/L: 16.1777

Surface and Volume Properties
Accessible surface: 579.056	Positive charged surface: 355.15	Negative charged surface: 218.487	Volume: 308
Hydrophobic surface: 442.739	Hydrophilic surface: 136.317

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.