MMsINC Database Search


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

MMsINC code: MMs02156457

Type: Neutral
Formula: C₁₄H₇ClF₅NO₂

SMILES:

Clc1cc(OC(F)(F)F)c(NC(=O)c2c(F)cccc2F)cc1

InChI:

InChI=1/C14H7ClF5NO2/c15-7-4-5-10(11(6-7)23-14(18,19)20)21-13(22)12-8(16)2-1-3-9(12)17/h1-6H,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.0633 kcal/mol

Physical Properties
Molecular Weight: 351.658 g/mol	logS: -5.86845	SlogP: 5.189	Reactive groups: 0

Topological Properties
Globularity: 0.0651518	Sterimol/B1: 3.13613	Sterimol/B2: 3.59805	Sterimol/B3: 4.92172
Sterimol/B4: 5.27287	Sterimol/L: 15.1871

Surface and Volume Properties
Accessible surface: 520.002	Positive charged surface: 171.076	Negative charged surface: 348.927	Volume: 256.125
Hydrophobic surface: 371.755	Hydrophilic surface: 148.247

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.