MMsINC Database Search


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

MMsINC code: MMs00088592

Type: Neutral
Formula: C₁₉H₁₄N₂O₂

SMILES:

O=C1N(C(=O)c2c3c1ccc(N)c3ccc2)c1cc(ccc1)C

InChI:

InChI=1/C19H14N2O2/c1-11-4-2-5-12(10-11)21-18(22)14-7-3-6-13-16(20)9-8-15(17(13)14)19(21)23/h2-10H,20H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.922 kcal/mol

Physical Properties
Molecular Weight: 302.333 g/mol	logS: -5.83127	SlogP: 3.53102	Reactive groups: 0

Topological Properties
Globularity: 0.0836394	Sterimol/B1: 2.29007	Sterimol/B2: 4.55629	Sterimol/B3: 5.19866
Sterimol/B4: 6.07573	Sterimol/L: 15.1151

Surface and Volume Properties
Accessible surface: 513.786	Positive charged surface: 285.867	Negative charged surface: 217.967	Volume: 284.75
Hydrophobic surface: 404.785	Hydrophilic surface: 109.001

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.