MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00776643

Type: Neutral
Formula: C₁₉H₁₆N₂O₃

SMILES:

O(C)c1ccc(cc1)/C(=N\OC(=O)c1c2c(ccc1)cccc2)/N

InChI:

InChI=1/C19H16N2O3/c1-23-15-11-9-14(10-12-15)18(20)21-24-19(22)17-8-4-6-13-5-2-3-7-16(13)17/h2-12H,1H3,(H2,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.69 kcal/mol

Physical Properties
Molecular Weight: 320.348 g/mol	logS: -5.85649	SlogP: 3.3257	Reactive groups: 0

Topological Properties
Globularity: 0.00216338	Sterimol/B1: 2.34258	Sterimol/B2: 2.40417	Sterimol/B3: 3.28523
Sterimol/B4: 6.7911	Sterimol/L: 18.4984

Surface and Volume Properties
Accessible surface: 573.622	Positive charged surface: 337.147	Negative charged surface: 225.39	Volume: 304.125
Hydrophobic surface: 471.653	Hydrophilic surface: 101.969

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.