MMsINC Database Search


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

MMsINC code: MMs01511710

Type: Neutral
Formula: C₁₆H₁₅ClFNO₂

SMILES:

Clc1ccc(OC(C(=O)Nc2cc(F)ccc2C)C)cc1

InChI:

InChI=1/C16H15ClFNO2/c1-10-3-6-13(18)9-15(10)19-16(20)11(2)21-14-7-4-12(17)5-8-14/h3-9,11H,1-2H3,(H,19,20)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.5579 kcal/mol

Physical Properties
Molecular Weight: 307.752 g/mol	logS: -4.94864	SlogP: 4.19352	Reactive groups: 0

Topological Properties
Globularity: 0.0517587	Sterimol/B1: 1.969	Sterimol/B2: 2.56911	Sterimol/B3: 4.39714
Sterimol/B4: 6.99844	Sterimol/L: 17.2624

Surface and Volume Properties
Accessible surface: 545.583	Positive charged surface: 261.726	Negative charged surface: 283.857	Volume: 278.75
Hydrophobic surface: 492.17	Hydrophilic surface: 53.413

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.