MMsINC Database Search


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

MMsINC code: MMs02149851

Type: Neutral
Formula: C₂₀H₁₆ClFN₂O₂

SMILES:

Clc1cccc(Oc2ccccc2)c1CNC(=O)Nc1ccc(F)cc1

InChI:

InChI=1/C20H16ClFN2O2/c21-18-7-4-8-19(26-16-5-2-1-3-6-16)17(18)13-23-20(25)24-15-11-9-14(22)10-12-15/h1-12H,13H2,(H2,23,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.4745 kcal/mol

Physical Properties
Molecular Weight: 370.811 g/mol	logS: -6.00807	SlogP: 5.8595	Reactive groups: 0

Topological Properties
Globularity: 0.0819659	Sterimol/B1: 2.17922	Sterimol/B2: 3.49214	Sterimol/B3: 4.25151
Sterimol/B4: 9.4463	Sterimol/L: 16.7382

Surface and Volume Properties
Accessible surface: 630.063	Positive charged surface: 318.683	Negative charged surface: 311.38	Volume: 333.125
Hydrophobic surface: 566.111	Hydrophilic surface: 63.952

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.