MMsINC Database Search


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

MMsINC code: MMs00856117

Type: Neutral
Formula: C₁₇H₁₀Cl₂F₂N₂O₂

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(=O)Nc1cc(Cl)c(F)cc1

InChI:

InChI=1/C17H10Cl2F2N2O2/c1-8-14(17(24)22-9-5-6-12(20)11(19)7-9)16(23-25-8)15-10(18)3-2-4-13(15)21/h2-7H,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.9786 kcal/mol

Physical Properties
Molecular Weight: 383.181 g/mol	logS: -6.76833	SlogP: 5.48732	Reactive groups: 0

Topological Properties
Globularity: 0.148458	Sterimol/B1: 2.40049	Sterimol/B2: 3.98714	Sterimol/B3: 4.08125
Sterimol/B4: 9.72878	Sterimol/L: 13.5513

Surface and Volume Properties
Accessible surface: 573.598	Positive charged surface: 217.943	Negative charged surface: 355.655	Volume: 305.875
Hydrophobic surface: 527.135	Hydrophilic surface: 46.463

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.