MMsINC Database Search


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

MMsINC code: MMs00610477

Type: Neutral
Formula: C₁₆H₁₄Cl₂FNO₂

SMILES:

Clc1cc(Cl)ccc1OC(C(=O)Nc1cccc(F)c1C)C

InChI:

InChI=1/C16H14Cl2FNO2/c1-9-13(19)4-3-5-14(9)20-16(21)10(2)22-15-7-6-11(17)8-12(15)18/h3-8,10H,1-2H3,(H,20,21)/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.0833 kcal/mol

Physical Properties
Molecular Weight: 342.197 g/mol	logS: -5.68293	SlogP: 4.84692	Reactive groups: 0

Topological Properties
Globularity: 0.0425533	Sterimol/B1: 1.98624	Sterimol/B2: 3.25019	Sterimol/B3: 3.64541
Sterimol/B4: 6.76183	Sterimol/L: 17.2777

Surface and Volume Properties
Accessible surface: 554.021	Positive charged surface: 235.639	Negative charged surface: 318.382	Volume: 295.25
Hydrophobic surface: 501.197	Hydrophilic surface: 52.824

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.