MMsINC Database Search


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

MMsINC code: MMs00758537

Type: Neutral
Formula: C₁₉H₁₆N₂O₂

SMILES:

O=C(C)c1cc([nH]c1NC(=O)c1ccccc1)-c1ccccc1

InChI:

InChI=1/C19H16N2O2/c1-13(22)16-12-17(14-8-4-2-5-9-14)20-18(16)21-19(23)15-10-6-3-7-11-15/h2-12,20H,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.9881 kcal/mol

Physical Properties
Molecular Weight: 304.349 g/mol	logS: -4.8168	SlogP: 4.1366	Reactive groups: 0

Topological Properties
Globularity: 0.00263578	Sterimol/B1: 2.10368	Sterimol/B2: 2.32153	Sterimol/B3: 2.51337
Sterimol/B4: 9.78419	Sterimol/L: 16.9976

Surface and Volume Properties
Accessible surface: 559.699	Positive charged surface: 282.236	Negative charged surface: 277.463	Volume: 298.875
Hydrophobic surface: 482.28	Hydrophilic surface: 77.419

Pharmacophoric Properties
Hydrogen bond donors: 2	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.