MMsINC Database Search


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

MMsINC code: MMs00977298

Type: Neutral
Formula: C₁₉H₂₀N₂O₃

SMILES:

O=C1N(Cc2c1c(ccc2)C(=O)Nc1ccccc1C)CCOC

InChI:

InChI=1/C19H20N2O3/c1-13-6-3-4-9-16(13)20-18(22)15-8-5-7-14-12-21(10-11-24-2)19(23)17(14)15/h3-9H,10-12H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.7091 kcal/mol

Physical Properties
Molecular Weight: 324.38 g/mol	logS: -3.82052	SlogP: 3.11592	Reactive groups: 0

Topological Properties
Globularity: 0.0771638	Sterimol/B1: 2.88348	Sterimol/B2: 4.67826	Sterimol/B3: 4.99616
Sterimol/B4: 6.02004	Sterimol/L: 16.2354

Surface and Volume Properties
Accessible surface: 589.935	Positive charged surface: 414.133	Negative charged surface: 175.802	Volume: 315.75
Hydrophobic surface: 535.282	Hydrophilic surface: 54.653

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.