MMsINC Database Search


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

MMsINC code: MMs01436771

Type: Neutral
Formula: C₁₉H₁₆ClF₄NO

SMILES:

Clc1ccc(NC(=O)C2(CCCC2)c2cc(F)ccc2)cc1C(F)(F)F

InChI:

InChI=1/C19H16ClF4NO/c20-16-7-6-14(11-15(16)19(22,23)24)25-17(26)18(8-1-2-9-18)12-4-3-5-13(21)10-12/h3-7,10-11H,1-2,8-9H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.888 kcal/mol

Physical Properties
Molecular Weight: 385.788 g/mol	logS: -6.8341	SlogP: 6.2599	Reactive groups: 0

Topological Properties
Globularity: 0.144696	Sterimol/B1: 2.61641	Sterimol/B2: 4.18198	Sterimol/B3: 4.49171
Sterimol/B4: 8.1825	Sterimol/L: 15.3193

Surface and Volume Properties
Accessible surface: 568.458	Positive charged surface: 240.691	Negative charged surface: 327.766	Volume: 320.375
Hydrophobic surface: 455.68	Hydrophilic surface: 112.778

Pharmacophoric Properties
Hydrogen bond donors: 1	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.