MMsINC Database Search


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

MMsINC code: MMs00850587

Type: Neutral
Formula: C₁₉H₁₈N₂O₃

SMILES:

o1nc(cc1-c1ccccc1OC)C(=O)Nc1cc(C)c(cc1)C

InChI:

InChI=1/C19H18N2O3/c1-12-8-9-14(10-13(12)2)20-19(22)16-11-18(24-21-16)15-6-4-5-7-17(15)23-3/h4-11H,1-3H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.621 kcal/mol

Physical Properties
Molecular Weight: 322.364 g/mol	logS: -5.54754	SlogP: 4.21934	Reactive groups: 0

Topological Properties
Globularity: 0.0128377	Sterimol/B1: 2.59556	Sterimol/B2: 3.40376	Sterimol/B3: 4.72282
Sterimol/B4: 5.21774	Sterimol/L: 18.5667

Surface and Volume Properties
Accessible surface: 599.385	Positive charged surface: 367.456	Negative charged surface: 231.929	Volume: 310.25
Hydrophobic surface: 519.52	Hydrophilic surface: 79.865

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.