MMsINC Database Search


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

MMsINC code: MMs00114720

Type: Neutral
Formula: C₁₄H₁₁ClFNO₂

SMILES:

Clc1cc(NC(=O)c2ccccc2F)c(OC)cc1

InChI:

InChI=1/C14H11ClFNO2/c1-19-13-7-6-9(15)8-12(13)17-14(18)10-4-2-3-5-11(10)16/h2-8H,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.7108 kcal/mol

Physical Properties
Molecular Weight: 279.698 g/mol	logS: -4.43452	SlogP: 3.74	Reactive groups: 0

Topological Properties
Globularity: 0.0185017	Sterimol/B1: 2.36836	Sterimol/B2: 2.52229	Sterimol/B3: 2.92528
Sterimol/B4: 8.61946	Sterimol/L: 13.9178

Surface and Volume Properties
Accessible surface: 486.639	Positive charged surface: 256.356	Negative charged surface: 230.282	Volume: 243.625
Hydrophobic surface: 450.638	Hydrophilic surface: 36.001

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.