MMsINC Database Search


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

MMsINC code: MMs01652945

Type: Neutral
Formula: C₁₆H₁₁Cl₂F₂NO₄

SMILES:

Clc1cc(NC(=O)COC(=O)c2cc(OC(F)F)ccc2)cc(Cl)c1

InChI:

InChI=1/C16H11Cl2F2NO4/c17-10-5-11(18)7-12(6-10)21-14(22)8-24-15(23)9-2-1-3-13(4-9)25-16(19)20/h1-7,16H,8H2,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.0019 kcal/mol

Physical Properties
Molecular Weight: 390.169 g/mol	logS: -5.36587	SlogP: 4.8102	Reactive groups: 0

Topological Properties
Globularity: 0.0129283	Sterimol/B1: 3.15535	Sterimol/B2: 3.22074	Sterimol/B3: 3.67767
Sterimol/B4: 5.86136	Sterimol/L: 20.0848

Surface and Volume Properties
Accessible surface: 610.038	Positive charged surface: 253.644	Negative charged surface: 356.394	Volume: 305.625
Hydrophobic surface: 438.2	Hydrophilic surface: 171.838

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.