MMsINC Database Search


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

MMsINC code: MMs02660391

Type: Neutral
Formula: C₂₀H₂₃NO₄

SMILES:

O(Cc1ccccc1)c1c(OC)cc(cc1OC)C(=O)N1CCCC1

InChI:

InChI=1/C20H23NO4/c1-23-17-12-16(20(22)21-10-6-7-11-21)13-18(24-2)19(17)25-14-15-8-4-3-5-9-15/h3-5,8-9,12-13H,6-7,10-11,14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.286 kcal/mol

Physical Properties
Molecular Weight: 341.407 g/mol	logS: -3.89644	SlogP: 3.7852	Reactive groups: 0

Topological Properties
Globularity: 0.0343598	Sterimol/B1: 2.18046	Sterimol/B2: 3.19987	Sterimol/B3: 3.82757
Sterimol/B4: 9.41352	Sterimol/L: 18.0886

Surface and Volume Properties
Accessible surface: 619.378	Positive charged surface: 453.798	Negative charged surface: 165.581	Volume: 338.5
Hydrophobic surface: 563.672	Hydrophilic surface: 55.706

Pharmacophoric Properties
Hydrogen bond donors: 0	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.