MMsINC Database Search


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

MMsINC code: MMs02774359

Type: Neutral
Formula: C₁₄H₉Cl₂FO₃

SMILES:

Clc1cc(cc(Cl)c1OC)C(Oc1ccc(F)cc1)=O

InChI:

InChI=1/C14H9Cl2FO3/c1-19-13-11(15)6-8(7-12(13)16)14(18)20-10-4-2-9(17)3-5-10/h2-7H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.4871 kcal/mol

Physical Properties
Molecular Weight: 315.127 g/mol	logS: -5.31288	SlogP: 4.3603	Reactive groups: 0

Topological Properties
Globularity: 0.052842	Sterimol/B1: 2.74299	Sterimol/B2: 3.56852	Sterimol/B3: 4.32863
Sterimol/B4: 5.13941	Sterimol/L: 16.4766

Surface and Volume Properties
Accessible surface: 511.297	Positive charged surface: 228.714	Negative charged surface: 282.583	Volume: 259.125
Hydrophobic surface: 472.254	Hydrophilic surface: 39.043

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.