MMsINC Database Search


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

MMsINC code: MMs00292718

Type: Neutral
Formula: C₂₀H₁₁NO₄

SMILES:

O1c2cc(O)c3c(c2Nc2c1cccc2)C(=O)c1c(cccc1)C3=O

InChI:

InChI=1/C20H11NO4/c22-13-9-15-18(21-12-7-3-4-8-14(12)25-15)17-16(13)19(23)10-5-1-2-6-11(10)20(17)24/h1-9,21-22H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.4225 kcal/mol

Physical Properties
Molecular Weight: 329.311 g/mol	logS: -5.69232	SlogP: 4.0169	Reactive groups: 0

Topological Properties
Globularity: 4.20306e-07	Sterimol/B1: 2.09888	Sterimol/B2: 2.10309	Sterimol/B3: 3.61493
Sterimol/B4: 7.01319	Sterimol/L: 16.3838

Surface and Volume Properties
Accessible surface: 517.433	Positive charged surface: 290.939	Negative charged surface: 226.494	Volume: 290.875
Hydrophobic surface: 413.555	Hydrophilic surface: 103.878

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.