MMsINC Database Search


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

MMsINC code: MMs01245709

Type: Neutral
Formula: C₁₆H₁₃ClFNO₃

SMILES:

Clc1ccc(NC(=O)C(OC(=O)c2ccc(F)cc2)C)cc1

InChI:

InChI=1/C16H13ClFNO3/c1-10(15(20)19-14-8-4-12(17)5-9-14)22-16(21)11-2-6-13(18)7-3-11/h2-10H,1H3,(H,19,20)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.0695 kcal/mol

Physical Properties
Molecular Weight: 321.735 g/mol	logS: -5.11952	SlogP: 3.6631	Reactive groups: 0

Topological Properties
Globularity: 0.0329547	Sterimol/B1: 2.11584	Sterimol/B2: 2.46328	Sterimol/B3: 3.84088
Sterimol/B4: 6.88582	Sterimol/L: 17.857

Surface and Volume Properties
Accessible surface: 560.188	Positive charged surface: 257.808	Negative charged surface: 302.38	Volume: 281.625
Hydrophobic surface: 470.587	Hydrophilic surface: 89.601

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.