MMsINC Database Search


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

MMsINC code: MMs00585623

Type: Neutral
Formula: C₁₅H₁₀N₂O₃

SMILES:

O=C1N(C(=O)c2c1cccc2)c1cc(ccc1)C(=O)N

InChI:

InChI=1/C15H10N2O3/c16-13(18)9-4-3-5-10(8-9)17-14(19)11-6-1-2-7-12(11)15(17)20/h1-8H,(H2,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.6156 kcal/mol

Physical Properties
Molecular Weight: 266.256 g/mol	logS: -4.01071	SlogP: 1.5861	Reactive groups: 0

Topological Properties
Globularity: 4.95623e-07	Sterimol/B1: 2.09871	Sterimol/B2: 2.10204	Sterimol/B3: 4.35356
Sterimol/B4: 4.53548	Sterimol/L: 14.9906

Surface and Volume Properties
Accessible surface: 462.452	Positive charged surface: 237.16	Negative charged surface: 225.293	Volume: 238.875
Hydrophobic surface: 287.991	Hydrophilic surface: 174.461

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.