MMsINC Database Search


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

MMsINC code: MMs01616099

Type: Neutral
Formula: C₂₃H₂₁NO₄

SMILES:

O(C)c1ccccc1CNC(=O)COc1ccc(cc1)C(=O)c1ccccc1

InChI:

InChI=1/C23H21NO4/c1-27-21-10-6-5-9-19(21)15-24-22(25)16-28-20-13-11-18(12-14-20)23(26)17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.573 kcal/mol

Physical Properties
Molecular Weight: 375.424 g/mol	logS: -5.49892	SlogP: 3.8878	Reactive groups: 0

Topological Properties
Globularity: 0.0351649	Sterimol/B1: 2.0656	Sterimol/B2: 2.38894	Sterimol/B3: 5.22994
Sterimol/B4: 6.64311	Sterimol/L: 21.5696

Surface and Volume Properties
Accessible surface: 687.366	Positive charged surface: 424.658	Negative charged surface: 262.708	Volume: 367.25
Hydrophobic surface: 586.451	Hydrophilic surface: 100.915

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.