MMsINC Database Search


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

MMsINC code: MMs02947741

Type: Neutral
Formula: C₁₅H₁₂N₂O₃

SMILES:

O=C1NC(=O)c2c3c1ccc(NC(=O)CC)c3ccc2

InChI:

InChI=1/C15H12N2O3/c1-2-12(18)16-11-7-6-10-13-8(11)4-3-5-9(13)14(19)17-15(10)20/h3-7H,2H2,1H3,(H,16,18)(H,17,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.9982 kcal/mol

Physical Properties
Molecular Weight: 268.272 g/mol	logS: -4.32982	SlogP: 2.0719	Reactive groups: 0

Topological Properties
Globularity: 0.0146849	Sterimol/B1: 2.54701	Sterimol/B2: 3.06659	Sterimol/B3: 4.61396
Sterimol/B4: 5.75375	Sterimol/L: 14.9365

Surface and Volume Properties
Accessible surface: 463.478	Positive charged surface: 265.21	Negative charged surface: 186.836	Volume: 240.5
Hydrophobic surface: 289.759	Hydrophilic surface: 173.719

Pharmacophoric Properties
Hydrogen bond donors: 2	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.