MMsINC Database Search


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

MMsINC code: MMs00652588

Type: Neutral
Formula: C₁₅H₁₂ClFN₂O₂

SMILES:

Clc1cccc(F)c1CC(=O)Nc1ccccc1C(=O)N

InChI:

InChI=1/C15H12ClFN2O2/c16-11-5-3-6-12(17)10(11)8-14(20)19-13-7-2-1-4-9(13)15(18)21/h1-7H,8H2,(H2,18,21)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.9638 kcal/mol

Physical Properties
Molecular Weight: 306.724 g/mol	logS: -4.69773	SlogP: 2.75917	Reactive groups: 0

Topological Properties
Globularity: 0.0684227	Sterimol/B1: 2.99602	Sterimol/B2: 3.41013	Sterimol/B3: 5.09581
Sterimol/B4: 6.38434	Sterimol/L: 14.5071

Surface and Volume Properties
Accessible surface: 506.388	Positive charged surface: 252.625	Negative charged surface: 253.763	Volume: 264.5
Hydrophobic surface: 387.477	Hydrophilic surface: 118.911

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.