MMsINC Database Search


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

MMsINC code: MMs00626405

Type: Neutral
Formula: C₁₃H₈Cl₂FNO₂

SMILES:

Clc1cc(NC(=O)c2ccc(F)cc2)cc(Cl)c1O

InChI:

InChI=1/C13H8Cl2FNO2/c14-10-5-9(6-11(15)12(10)18)17-13(19)7-1-3-8(16)4-2-7/h1-6,18H,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.9416 kcal/mol

Physical Properties
Molecular Weight: 300.116 g/mol	logS: -4.75648	SlogP: 4.0904	Reactive groups: 0

Topological Properties
Globularity: 0.015106	Sterimol/B1: 2.61843	Sterimol/B2: 3.01984	Sterimol/B3: 3.51682
Sterimol/B4: 5.71439	Sterimol/L: 15.1263

Surface and Volume Properties
Accessible surface: 476.588	Positive charged surface: 180.805	Negative charged surface: 295.782	Volume: 238.5
Hydrophobic surface: 401.806	Hydrophilic surface: 74.782

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.