MMsINC Database Search


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

MMsINC code: MMs01423414

Type: Neutral
Formula: C₁₉H₁₄ClFN₂O₃

SMILES:

Clc1cc(C(=O)c2ccccc2F)c(NC(=O)c2c(noc2C)C)cc1

InChI:

InChI=1/C19H14ClFN2O3/c1-10-17(11(2)26-23-10)19(25)22-16-8-7-12(20)9-14(16)18(24)13-5-3-4-6-15(13)21/h3-9H,1-2H3,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.785 kcal/mol

Physical Properties
Molecular Weight: 372.783 g/mol	logS: -5.73008	SlogP: 4.56724	Reactive groups: 0

Topological Properties
Globularity: 0.222872	Sterimol/B1: 2.43851	Sterimol/B2: 3.37174	Sterimol/B3: 5.64924
Sterimol/B4: 9.28876	Sterimol/L: 12.193

Surface and Volume Properties
Accessible surface: 555.754	Positive charged surface: 237.792	Negative charged surface: 317.961	Volume: 324.625
Hydrophobic surface: 475.108	Hydrophilic surface: 80.646

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.