MMsINC Database Search


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

MMsINC code: MMs00880665

Type: Neutral
Formula: C₁₅H₁₂N₂O₃

SMILES:

O1c2c(-c3c(C1=O)c(nc(c3)C)NC(=O)C)cccc2

InChI:

InChI=1/C15H12N2O3/c1-8-7-11-10-5-3-4-6-12(10)20-15(19)13(11)14(16-8)17-9(2)18/h3-7H,1-2H3,(H,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.785 kcal/mol

Physical Properties
Molecular Weight: 268.272 g/mol	logS: -4.26752	SlogP: 2.54802	Reactive groups: 0

Topological Properties
Globularity: 0.012863	Sterimol/B1: 2.07418	Sterimol/B2: 2.52088	Sterimol/B3: 2.53534
Sterimol/B4: 8.11595	Sterimol/L: 14.3638

Surface and Volume Properties
Accessible surface: 475.353	Positive charged surface: 265.984	Negative charged surface: 198.96	Volume: 243.625
Hydrophobic surface: 366.58	Hydrophilic surface: 108.773

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.