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MMsINC code: MMs01482750

Type: Neutral
Formula: C₁₇H₁₄Cl₂FNO₃

SMILES:

Clc1cc(Cl)ccc1C(NC(=O)COC(=O)c1ccc(F)cc1)C

InChI:

InChI=1/C17H14Cl2FNO3/c1-10(14-7-4-12(18)8-15(14)19)21-16(22)9-24-17(23)11-2-5-13(20)6-3-11/h2-8,10H,9H2,1H3,(H,21,22)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.873 kcal/mol

Physical Properties
Molecular Weight: 370.207 g/mol	logS: -5.79785	SlogP: 4.2622	Reactive groups: 0

Topological Properties
Globularity: 0.0364054	Sterimol/B1: 2.22661	Sterimol/B2: 3.10018	Sterimol/B3: 5.07961
Sterimol/B4: 5.78286	Sterimol/L: 19.5902

Surface and Volume Properties
Accessible surface: 601.658	Positive charged surface: 258.108	Negative charged surface: 343.55	Volume: 314.875
Hydrophobic surface: 508.766	Hydrophilic surface: 92.892

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

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Ions/Tautomers related molecules: no related molecules available.