MMsINC Database Search


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

MMsINC code: MMs02362816

Type: Neutral
Formula: C₁₄H₈Cl₃F₃N₂O

SMILES:

Clc1cc(Cl)ccc1NC(=O)Nc1cc(ccc1Cl)C(F)(F)F

InChI:

InChI=1/C14H8Cl3F3N2O/c15-8-2-4-11(10(17)6-8)21-13(23)22-12-5-7(14(18,19)20)1-3-9(12)16/h1-6H,(H2,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.4579 kcal/mol

Physical Properties
Molecular Weight: 383.584 g/mol	logS: -6.51147	SlogP: 6.6211	Reactive groups: 0

Topological Properties
Globularity: 0.0472262	Sterimol/B1: 2.90316	Sterimol/B2: 3.96011	Sterimol/B3: 4.52464
Sterimol/B4: 5.57841	Sterimol/L: 15.4451

Surface and Volume Properties
Accessible surface: 552.206	Positive charged surface: 156.328	Negative charged surface: 395.879	Volume: 283.25
Hydrophobic surface: 405.757	Hydrophilic surface: 146.449

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.