MMsINC Database Search


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

MMsINC code: MMs03792820

Type: Neutral
Formula: C₁₉H₂₃N₃O₄

SMILES:

O1CCOC12CCN(CC2)C=1NC(=O)N(C)C(=O)C=1Cc1ccccc1

InChI:

InChI=1/C19H23N3O4/c1-21-17(23)15(13-14-5-3-2-4-6-14)16(20-18(21)24)22-9-7-19(8-10-22)25-11-12-26-19/h2-6H,7-13H2,1H3,(H,20,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.94 kcal/mol

Physical Properties
Molecular Weight: 357.41 g/mol	logS: -3.44113	SlogP: 1.46117	Reactive groups: 0

Topological Properties
Globularity: 0.121114	Sterimol/B1: 2.71981	Sterimol/B2: 3.52319	Sterimol/B3: 4.08869
Sterimol/B4: 9.32614	Sterimol/L: 14.581

Surface and Volume Properties
Accessible surface: 576.411	Positive charged surface: 426.82	Negative charged surface: 149.592	Volume: 334.25
Hydrophobic surface: 472.646	Hydrophilic surface: 103.765

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.