MMsINC Database Search


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

MMsINC code: MMs01510713

Type: Neutral
Formula: C₂₀H₁₉NO₇

SMILES:

O(C)c1c(OC)c(OC)ccc1C(OCCN1C(=O)c2c(cccc2)C1=O)=O

InChI:

InChI=1/C20H19NO7/c1-25-15-9-8-14(16(26-2)17(15)27-3)20(24)28-11-10-21-18(22)12-6-4-5-7-13(12)19(21)23/h4-9H,10-11H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.564 kcal/mol

Physical Properties
Molecular Weight: 385.372 g/mol	logS: -4.26194	SlogP: 2.1654	Reactive groups: 0

Topological Properties
Globularity: 0.109614	Sterimol/B1: 2.17267	Sterimol/B2: 3.88476	Sterimol/B3: 4.78973
Sterimol/B4: 8.53272	Sterimol/L: 16.5011

Surface and Volume Properties
Accessible surface: 637.848	Positive charged surface: 464.187	Negative charged surface: 173.661	Volume: 348.375
Hydrophobic surface: 536.439	Hydrophilic surface: 101.409

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 6	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.