MMsINC Database Search


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

MMsINC code: MMs02140056

Type: Neutral
Formula: C₁₇H₁₂ClN₃O₃

SMILES:

Clc1ccc(cc1)C(=O)NC(=O)Nc1ccc(cc1)-c1ocnc1

InChI:

InChI=1/C17H12ClN3O3/c18-13-5-1-12(2-6-13)16(22)21-17(23)20-14-7-3-11(4-8-14)15-9-19-10-24-15/h1-10H,(H2,20,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.7496 kcal/mol

Physical Properties
Molecular Weight: 341.754 g/mol	logS: -5.5274	SlogP: 3.9569	Reactive groups: 0

Topological Properties
Globularity: 0.0076794	Sterimol/B1: 2.12152	Sterimol/B2: 2.97431	Sterimol/B3: 2.99036
Sterimol/B4: 4.98754	Sterimol/L: 20.6465

Surface and Volume Properties
Accessible surface: 573.523	Positive charged surface: 310.544	Negative charged surface: 262.979	Volume: 297
Hydrophobic surface: 414.809	Hydrophilic surface: 158.714

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.