MMsINC Database Search


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

MMsINC code: MMs02127033

Type: Neutral
Formula: C₁₅H₁₃ClN₂O₂

SMILES:

Clc1ccc(cc1)C(=O)CNc1ccccc1C(=O)N

InChI:

InChI=1/C15H13ClN2O2/c16-11-7-5-10(6-8-11)14(19)9-18-13-4-2-1-3-12(13)15(17)20/h1-8,18H,9H2,(H2,17,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.2318 kcal/mol

Physical Properties
Molecular Weight: 288.734 g/mol	logS: -4.267	SlogP: 2.7337	Reactive groups: 0

Topological Properties
Globularity: 0.00417031	Sterimol/B1: 2.34621	Sterimol/B2: 2.40007	Sterimol/B3: 3.17484
Sterimol/B4: 6.49357	Sterimol/L: 16.2121

Surface and Volume Properties
Accessible surface: 510.123	Positive charged surface: 252.019	Negative charged surface: 258.104	Volume: 261.75
Hydrophobic surface: 374.78	Hydrophilic surface: 135.343

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.