MMsINC Database Search


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

MMsINC code: MMs01323627

Type: Neutral
Formula: C₁₇H₁₅ClFNO₅

SMILES:

Clc1cc(F)ccc1C(OCC(=O)Nc1cc(OC)ccc1OC)=O

InChI:

InChI=1/C17H15ClFNO5/c1-23-11-4-6-15(24-2)14(8-11)20-16(21)9-25-17(22)12-5-3-10(19)7-13(12)18/h3-8H,9H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.797 kcal/mol

Physical Properties
Molecular Weight: 367.76 g/mol	logS: -4.89307	SlogP: 3.2918	Reactive groups: 0

Topological Properties
Globularity: 0.0150724	Sterimol/B1: 2.55282	Sterimol/B2: 2.66877	Sterimol/B3: 3.27903
Sterimol/B4: 9.29245	Sterimol/L: 16.853

Surface and Volume Properties
Accessible surface: 610.661	Positive charged surface: 381.715	Negative charged surface: 228.945	Volume: 314
Hydrophobic surface: 523.341	Hydrophilic surface: 87.32

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.