MMsINC Database Search


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MMsINC code: MMs01738089

Type: Neutral
Formula: C₁₉H₁₂N₂O₂

SMILES:

OC(=O)c1c2nc(ccc2ccc1)-c1nc2c(cc1)cccc2

InChI:

InChI=1/C19H12N2O2/c22-19(23)14-6-3-5-13-9-11-17(21-18(13)14)16-10-8-12-4-1-2-7-15(12)20-16/h1-11H,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.3114 kcal/mol

Physical Properties
Molecular Weight: 300.317 g/mol	logS: -4.89534	SlogP: 4.1482	Reactive groups: 0

Topological Properties
Globularity: 1.0064e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.09848	Sterimol/B3: 5.08176
Sterimol/B4: 5.31216	Sterimol/L: 16.2432

Surface and Volume Properties
Accessible surface: 520.337	Positive charged surface: 272.13	Negative charged surface: 237.135	Volume: 283.5
Hydrophobic surface: 402.843	Hydrophilic surface: 117.494

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs01738090
IBS-ZINC00490081