MMsINC Database Search


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

MMsINC code: MMs00187324

Type: Neutral
Formula: C₂₀H₁₀ClN₃O₃

SMILES:

Clc1cc2nc(oc2cc1)-c1ccc(N2C(=O)c3c(nccc3)C2=O)cc1

InChI:

InChI=1/C20H10ClN3O3/c21-12-5-8-16-15(10-12)23-18(27-16)11-3-6-13(7-4-11)24-19(25)14-2-1-9-22-17(14)20(24)26/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.077 kcal/mol

Physical Properties
Molecular Weight: 375.771 g/mol	logS: -6.70333	SlogP: 4.3438	Reactive groups: 0

Topological Properties
Globularity: 1.88648e-07	Sterimol/B1: 2.09805	Sterimol/B2: 2.10255	Sterimol/B3: 3.46728
Sterimol/B4: 4.59432	Sterimol/L: 20.6506

Surface and Volume Properties
Accessible surface: 593.2	Positive charged surface: 293.51	Negative charged surface: 299.69	Volume: 322.25
Hydrophobic surface: 458.972	Hydrophilic surface: 134.228

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.