MMsINC Database Search


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

MMsINC code: MMs01514863

Type: Neutral
Formula: C₁₇H₁₄ClF₂NO₄

SMILES:

Clc1ccccc1CNC(=O)COC(=O)c1ccccc1OC(F)F

InChI:

InChI=1/C17H14ClF2NO4/c18-13-7-3-1-5-11(13)9-21-15(22)10-24-16(23)12-6-2-4-8-14(12)25-17(19)20/h1-8,17H,9-10H2,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.1922 kcal/mol

Physical Properties
Molecular Weight: 369.751 g/mol	logS: -4.57562	SlogP: 4.1009	Reactive groups: 0

Topological Properties
Globularity: 0.0322726	Sterimol/B1: 2.41258	Sterimol/B2: 4.72349	Sterimol/B3: 5.22513
Sterimol/B4: 5.90703	Sterimol/L: 18.2862

Surface and Volume Properties
Accessible surface: 606.216	Positive charged surface: 306.422	Negative charged surface: 299.794	Volume: 310.625
Hydrophobic surface: 439.33	Hydrophilic surface: 166.886

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.