MMsINC Database Search


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

MMsINC code: MMs00264070

Type: Neutral
Formula: C₁₉H₂₀N₂O₃

SMILES:

O(C)c1ccc(cc1)C(=O)NCCc1c2c([nH]c1)cc(OC)cc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.6507 kcal/mol

Physical Properties
Molecular Weight: 324.38 g/mol	logS: -3.75104	SlogP: 3.15757	Reactive groups: 0

Topological Properties
Globularity: 0.0504437	Sterimol/B1: 2.10861	Sterimol/B2: 3.89858	Sterimol/B3: 5.73079
Sterimol/B4: 6.00429	Sterimol/L: 19.9359

Surface and Volume Properties
Accessible surface: 608.623	Positive charged surface: 418.664	Negative charged surface: 185.65	Volume: 320.5
Hydrophobic surface: 497.352	Hydrophilic surface: 111.271

Pharmacophoric Properties
Hydrogen bond donors: 2	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.