MMsINC Database Search


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

MMsINC code: MMs00079711

Type: Neutral
Formula: C₁₅H₁₃ClFNO₂

SMILES:

Clc1ccc(OCC(=O)Nc2cc(F)ccc2)cc1C

InChI:

InChI=1/C15H13ClFNO2/c1-10-7-13(5-6-14(10)16)20-9-15(19)18-12-4-2-3-11(17)8-12/h2-8H,9H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.5762 kcal/mol

Physical Properties
Molecular Weight: 293.725 g/mol	logS: -4.62143	SlogP: 3.80502	Reactive groups: 0

Topological Properties
Globularity: 0.0142304	Sterimol/B1: 2.49678	Sterimol/B2: 2.54572	Sterimol/B3: 2.97377
Sterimol/B4: 5.81548	Sterimol/L: 17.3982

Surface and Volume Properties
Accessible surface: 523.33	Positive charged surface: 261.174	Negative charged surface: 262.156	Volume: 260.75
Hydrophobic surface: 470.066	Hydrophilic surface: 53.264

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.